7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one

C17H14O5 — CID 90933686

IUPAC7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one
SMILESCOc1cc2c(C)c(-c3ccc(O)cc3)c(=O)oc2cc1O
InChIInChI=1S/C17H14O5/c1-9-12-7-15(21-2)13(19)8-14(12)22-17(20)16(9)10-3-5-11(18)6-4-10/h3-8,18-19H,1-2H3
InChIKeyOJGCEKYOQQTLEH-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.19
Rot. Bonds2

About 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one

7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one (PubChem CID 90933686) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one
PubChem CID90933686
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one
SMILESCOc1cc2c(C)c(-c3ccc(O)cc3)c(=O)oc2cc1O
InChIInChI=1S/C17H14O5/c1-9-12-7-15(21-2)13(19)8-14(12)22-17(20)16(9)10-3-5-11(18)6-4-10/h3-8,18-19H,1-2H3
InChIKeyOJGCEKYOQQTLEH-UHFFFAOYSA-N
XLogP3.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-3-(4-hydroxyphenyl)-4-methylchromen-2-one
CID 10221024
3-(2,5-dimethoxyphenyl)-7-hydroxy-4-methylchromen-2-one
CID 6217099
4,6-dimethyl-3,7-diphenylpyrano[3,2-g]chromene-2,8-dione
CID 3437445
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
3-butyl-6-hydroxy-7-methoxy-4-methylchromen-2-one
CID 19927645
2-(4-hydroxyphenyl)-3,6,7-trimethoxychromen-4-one
CID 123956955
3-hydroxy-2-methoxy-8-propan-2-ylbenzo[c]chromen-6-one
CID 11999160
7-hydroxy-3,4-dimethyl-6-phenylmethoxychromen-2-one
CID 10685346
7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzofuran-2-ol
CID 139590543
4,9-dihydroxy-3,8-dimethoxy-[1]benzofuro[3,2-c]chromen-6-one
CID 162868360
3-(4-chlorophenyl)-7-[(dimethylamino)methyl]-6-hydroxy-4-methylchromen-2-one
CID 75366775
3-(4-methoxyphenyl)-4-methyl-7-[(4-methylphenyl)methoxy]chromen-2-one
CID 44963741

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one?
The IUPAC name of 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one (CID 90933686) is 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one?
The canonical SMILES for 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one is COc1cc2c(C)c(-c3ccc(O)cc3)c(=O)oc2cc1O.
What is the InChIKey of 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one?
The InChIKey is OJGCEKYOQQTLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-9-12-7-15(21-2)13(19)8-14(12)22-17(20)16(9)10-3-5-11(18)6-4-10/h3-8,18-19H,1-2H3.
What are the key properties of 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one?
7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one has a molecular weight of 298.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-hydroxyphenyl)-6-methoxy-4-methylchromen-2-one is sourced from PubChem (CID 90933686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).