(2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one

C16H14O6 — CID 102145698

IUPAC(2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2
InChIInChI=1S/C16H14O6/c1-21-16-7-15-9(5-13(16)20)11(18)6-14(22-15)8-2-3-10(17)12(19)4-8/h2-5,7,14,17,19-20H,6H2,1H3/t14-/m1/s1
InChIKeyRPRQFMAGEYDILE-CQSZACIVSA-N
MW302.28 g/mol
LogP2.52
Rot. Bonds2

About (2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one

(2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one (PubChem CID 102145698) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
PubChem CID102145698
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name(2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2
InChIInChI=1S/C16H14O6/c1-21-16-7-15-9(5-13(16)20)11(18)6-14(22-15)8-2-3-10(17)12(19)4-8/h2-5,7,14,17,19-20H,6H2,1H3/t14-/m1/s1
InChIKeyRPRQFMAGEYDILE-CQSZACIVSA-N
XLogP2.52
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-methyl-2,3-dihydrochromen-4-one
CID 163064511
potassium 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 46841773
2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydrochromen-4-one;7-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-one;7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one;7-hydroxy-2-phenyl-2,3-dihydrochromen-4-one
CID 162207047
potassium;(2S)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydrochromen-4-one;hydride
CID 173056573
2-(3,4-dimethoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 2922801
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 16655803
(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 56850105
6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 12073467
5-[2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]pentanoic acid
CID 118672110
2-(3-hydroxy-4-methoxyphenyl)-7-(5-oxohexyl)-2,3-dihydrochromen-4-one
CID 118671021
4-[(4Z)-4-hydroxyimino-7-methoxy-2,3-dihydrochromen-2-yl]benzene-1,2-diol
CID 118728479

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one (CID 102145698) is (2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one is COc1cc2c(cc1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2.
What is the InChIKey of (2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is RPRQFMAGEYDILE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14O6/c1-21-16-7-15-9(5-13(16)20)11(18)6-14(22-15)8-2-3-10(17)12(19)4-8/h2-5,7,14,17,19-20H,6H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one?
(2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 302.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydroxyphenyl)-6-hydroxy-7-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 102145698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).