(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol

C18H20O6 — CID 163043371

IUPAC(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc([C@H]2COc3c(ccc(O)c3OC)C2)c(O)c1OC
InChIInChI=1S/C18H20O6/c1-21-14-7-5-12(15(20)18(14)23-3)11-8-10-4-6-13(19)17(22-2)16(10)24-9-11/h4-7,11,19-20H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyBHZCUYWXAHPWFV-LLVKDONJSA-N
MW332.35 g/mol
LogP2.84
Rot. Bonds4

About (3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol

(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol (PubChem CID 163043371) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is (3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
PubChem CID163043371
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc([C@H]2COc3c(ccc(O)c3OC)C2)c(O)c1OC
InChIInChI=1S/C18H20O6/c1-21-14-7-5-12(15(20)18(14)23-3)11-8-10-4-6-13(19)17(22-2)16(10)24-9-11/h4-7,11,19-20H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyBHZCUYWXAHPWFV-LLVKDONJSA-N
XLogP2.84
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-methoxybenzene-1,2-diol
CID 5326313
(3S)-8-methoxy-3-(2,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 70252444
2,3-dimethoxy-6-(7-methoxy-3,4-dihydro-2H-chromen-3-yl)phenol
CID 5319689
4-[(3R)-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl]phenol
CID 124578570
7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-8-ol
CID 42604484
(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55295344
4-(8,8-dimethyl-3,4,9,10-tetrahydro-2H-pyrano[2,3-h]chromen-3-yl)-3-methoxy-2-methylphenol
CID 152894090
3-(4-hydroxy-2-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 591830
4-[(3S)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-yl]-3-(3-methoxyphenyl)phenol
CID 166888963
ethyl 7,8-dimethoxy-3,4-dihydro-2H-chromene-3-carboxylate
CID 170902617
3-methoxy-6-[(3R,8R)-8-methyl-8-(4-methylpent-3-enyl)-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl]benzene-1,2-diol
CID 162912952
3-(2-hydroxy-3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromen-2-ol
CID 175983672

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of (3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol (CID 163043371) is (3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for (3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for (3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol is COc1ccc([C@H]2COc3c(ccc(O)c3OC)C2)c(O)c1OC.
What is the InChIKey of (3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is BHZCUYWXAHPWFV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20O6/c1-21-14-7-5-12(15(20)18(14)23-3)11-8-10-4-6-13(19)17(22-2)16(10)24-9-11/h4-7,11,19-20H,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol?
(3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 332.35 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-hydroxy-3,4-dimethoxyphenyl)-8-methoxy-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 163043371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).