7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one

C17H14O6 — CID 71722134

IUPAC7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc3ccc(O)cc3oc2=O)c(OC)c1O
InChIInChI=1S/C17H14O6/c1-21-13-6-5-11(16(22-2)15(13)19)12-7-9-3-4-10(18)8-14(9)23-17(12)20/h3-8,18-19H,1-2H3
InChIKeyYXCOKWRIGBHNPD-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.89
Rot. Bonds3

About 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one

7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one (PubChem CID 71722134) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one
PubChem CID71722134
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one
SMILESCOc1ccc(-c2cc3ccc(O)cc3oc2=O)c(OC)c1O
InChIInChI=1S/C17H14O6/c1-21-13-6-5-11(16(22-2)15(13)19)12-7-9-3-4-10(18)8-14(9)23-17(12)20/h3-8,18-19H,1-2H3
InChIKeyYXCOKWRIGBHNPD-UHFFFAOYSA-N
XLogP2.89
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-3-(2-methoxy-4-pentylphenyl)chromen-2-one
CID 146412159
[3-bromo-4-(7-hydroxy-2-oxochromen-3-yl)phenyl] acetate
CID 132583696
3-(2-hydroxy-5-methoxyphenyl)-7-methoxychromen-2-one
CID 156776464
3-(2,4-diethylphenyl)-7-hydroxychromen-2-one
CID 126606459
2-methoxy-1-benzofuran-6-ol
CID 141275352
7-hydroxychromen-2-one;7-hydroxy-6-methoxychromen-2-one
CID 158863716
3-[4-ethyl-2-(trifluoromethoxy)phenyl]-7-hydroxychromen-2-one
CID 138735929
7-methoxy-3-(3,4,5-trimethoxyphenyl)chromen-2-one
CID 155816497
3-(4-hydroxy-3,5-dimethoxyphenyl)-2,6-dimethoxyphenol
CID 53362757
2-(2-hydroxy-4-methoxyphenyl)-1-benzofuran-6-ol
CID 641806
7-hydroxy-3-pyrimidin-2-ylchromen-2-one
CID 137183754
3-(4-bromophenyl)-7-hydroxychromen-2-one
CID 5393163

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one?
The IUPAC name of 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one (CID 71722134) is 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one is COc1ccc(-c2cc3ccc(O)cc3oc2=O)c(OC)c1O.
What is the InChIKey of 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one?
The InChIKey is YXCOKWRIGBHNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-21-13-6-5-11(16(22-2)15(13)19)12-7-9-3-4-10(18)8-14(9)23-17(12)20/h3-8,18-19H,1-2H3.
What are the key properties of 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one?
7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one has a molecular weight of 314.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(3-hydroxy-2,4-dimethoxyphenyl)chromen-2-one is sourced from PubChem (CID 71722134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).