1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol

1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol

CAS: 36062-07-4

Formula: C21H28O6

SMILES: COC1=CC(CCC(O)CC(O)CCC2=CC=C(O)C(OC)=C2)=CC=C1O

IUPAC: 1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol

InChI: InChI=1/C21H28O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h5-6,9-12,16-17,22-25H,3-4,7-8,13H2,1-2H3

Composition: C (67.00%), H (7.50%), O (25.50%)

Molar Mass: 376.449

Atom Count: 55

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	376.188588622
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
InChIKey	OELMAFBLFOKZJD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.58
Topological Polar Surface Area	99.38
Polarizability	40.16
Ring Count	2
Rotatable Bond Count	10

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Molnova Chemicals

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