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2,3-dimethoxy-5-[(3R)-7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]benzene-1,4-diol

2,3-dimethoxy-5-[(3R)-7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]benzene-1,4-diol

CAS: 181311-16-0

Formula: C18H20O6

SMILES: COC1=CC2=C(C[C@@H](CO2)C2=CC(O)=C(OC)C(OC)=C2O)C=C1

IUPAC: 2,3-dimethoxy-5-[(3R)-7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]benzene-1,4-diol

InChI: InChI=1S/C18H20O6/c1-21-12-5-4-10-6-11(9-24-15(10)7-12)13-8-14(19)17(22-2)18(23-3)16(13)20/h4-5,7-8,11,19-20H,6,9H2,1-3H3/t11-/m0/s1

Composition: C (65.05%), H (6.07%), O (28.88%)

Molar Mass: 332.352

Atom Count: 44

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 332.125988364
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 2
InChIKey RRVWIPPRKMQDAO-NSHDSACASA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.35
Topological Polar Surface Area 77.38
Polarizability 34.04
Ring Count 3
Rotatable Bond Count 4

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