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bis(2-methoxy-1-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-4-[(1E)-prop-1-en-1-yl]benzene) hydrate

bis(2-methoxy-1-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-4-[(1E)-prop-1-en-1-yl]benzene) hydrate

CAS: 7784-67-0

Formula: C40H46O7

SMILES: O.COC1=C(OC2=C(OC)C=C(C=CC)C=C2)C=CC(C=CC)=C1.COC1=C(OC2=C(OC)C=C(C=CC)C=C2)C=CC(C=CC)=C1

IUPAC: bis(2-methoxy-1-{2-methoxy-4-[(1E)-prop-1-en-1-yl]phenoxy}-4-[(1E)-prop-1-en-1-yl]benzene) hydrate

InChI: InChI=1S/2C20H22O3.H2O/c2*1-5-7-15-9-11-17(19(13-15)21-3)23-18-12-10-16(8-6-2)14-20(18)22-4;/h2*5-14H,1-4H3;1H2/b2*7-5+,8-6+;

Composition: C (75.21%), H (7.26%), O (17.53%)

Molar Mass: 638.801

Atom Count: 93

Heavy Atom Count: 47

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 638.324353821
Formal Charge 0
FSP3 0.2
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey LVYQKDZQFXZURE-XVGSOSPHSA-N
Lipinski's Rule of Five
Molar Refractivity 95.94
Topological Polar Surface Area 27.69
Polarizability 36.28
Ring Count 4
Rotatable Bond Count 12

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 7784-67-0 $2,530.00-$6,182.00$2,530.00$4,048.00$6,182.00
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