7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one

C16H12O4 — CID 10221024

IUPAC7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
SMILESCc1c(-c2ccc(O)cc2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C16H12O4/c1-9-13-7-6-12(18)8-14(13)20-16(19)15(9)10-2-4-11(17)5-3-10/h2-8,17-18H,1H3
InChIKeyNWVKVBBNCRPFPD-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.18
Rot. Bonds1

About 7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one

7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one (PubChem CID 10221024) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
PubChem CID10221024
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
SMILESCc1c(-c2ccc(O)cc2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C16H12O4/c1-9-13-7-6-12(18)8-14(13)20-16(19)15(9)10-2-4-11(17)5-3-10/h2-8,17-18H,1H3
InChIKeyNWVKVBBNCRPFPD-UHFFFAOYSA-N
XLogP3.18
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3-(4-hydroxy-2-methylphenyl)-4-methylchromen-2-one
CID 89042295
7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one
CID 90933686
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701
3-(4-bromophenyl)-7-hydroxy-4-phenylchromen-2-one
CID 6282046
3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one
CID 6217099
3-[4-[7-hydroxy-3-(4-hydroxyphenyl)-2-oxochromen-4-yl]phenyl]prop-2-enoic acid
CID 75253392
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
4-ethyl-7-hydroxy-3-methylchromen-2-one
CID 13309299
ethane;6-hydroxy-1,9-dimethylxanthen-3-one
CID 56637418
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
ethyl 7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromene-2-carboxylate
CID 15486887

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one?
The IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one (CID 10221024) is 7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one?
The canonical SMILES for 7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one is Cc1c(-c2ccc(O)cc2)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one?
The InChIKey is NWVKVBBNCRPFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c1-9-13-7-6-12(18)8-14(13)20-16(19)15(9)10-2-4-11(17)5-3-10/h2-8,17-18H,1H3.
What are the key properties of 7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one?
7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one has a molecular weight of 268.27 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one is sourced from PubChem (CID 10221024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).