5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one

C17H14O4 — CID 95048626

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1C
InChIInChI=1S/C17H14O4/c1-9-7-15-16(17(20)10(9)2)13(19)8-14(21-15)11-3-5-12(18)6-4-11/h3-8,18,20H,1-2H3
InChIKeySXTDDJWOZJCLNW-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.49
Rot. Bonds1

About 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one

5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one (PubChem CID 95048626) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one
PubChem CID95048626
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1C
InChIInChI=1S/C17H14O4/c1-9-7-15-16(17(20)10(9)2)13(19)8-14(21-15)11-3-5-12(18)6-4-11/h3-8,18,20H,1-2H3
InChIKeySXTDDJWOZJCLNW-UHFFFAOYSA-N
XLogP3.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methylchromen-4-one
CID 162817904
5,6-dihydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 3084390
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
5,7-dihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chromen-4-one
CID 15838821
5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-7-nitrosochromen-4-one
CID 130383696
5,7-dihydroxy-2-(4-methylphenyl)chromen-4-one;ethane
CID 90949026
6-chloro-2-(4-chlorophenyl)-5,7-dimethylchromen-4-one
CID 71739419
2-(4-chlorophenyl)-5,6,7-trihydroxychromen-4-one
CID 11426691
5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-6-one
CID 15389226
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
(5-hydroxy-6-methyl-4-oxo-2-phenylchromen-7-yl) 4-methylbenzoate
CID 58178607

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one (CID 95048626) is 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one is Cc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1C.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one?
The InChIKey is SXTDDJWOZJCLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-9-7-15-16(17(20)10(9)2)13(19)8-14(21-15)11-3-5-12(18)6-4-11/h3-8,18,20H,1-2H3.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one?
5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-6,7-dimethylchromen-4-one is sourced from PubChem (CID 95048626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).