2-(4-hydroxyphenyl)-8-methylchromen-4-one

C16H12O3 — CID 24721527

IUPAC2-(4-hydroxyphenyl)-8-methylchromen-4-one
SMILESCc1cccc2c(=O)cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C16H12O3/c1-10-3-2-4-13-14(18)9-15(19-16(10)13)11-5-7-12(17)8-6-11/h2-9,17H,1H3
InChIKeyRPCGURLQRMCCMB-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.47
Rot. Bonds1

About 2-(4-hydroxyphenyl)-8-methylchromen-4-one

2-(4-hydroxyphenyl)-8-methylchromen-4-one (PubChem CID 24721527) has the molecular formula C16H12O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-8-methylchromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-8-methylchromen-4-one
PubChem CID24721527
Molecular FormulaC16H12O3
Molecular Weight252.27 g/mol
Exact Mass252.08
IUPAC Name2-(4-hydroxyphenyl)-8-methylchromen-4-one
SMILESCc1cccc2c(=O)cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C16H12O3/c1-10-3-2-4-13-14(18)9-15(19-16(10)13)11-5-7-12(17)8-6-11/h2-9,17H,1H3
InChIKeyRPCGURLQRMCCMB-UHFFFAOYSA-N
XLogP3.47
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
2-(2-hydroxyphenyl)-8-methylchromen-4-one
CID 90123995
[3-(8-methyl-4-oxochromen-2-yl)phenyl]boronic acid
CID 71504575
8-butyl-7-hydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 70069758
2-(4-hydroxyphenyl)-9-methylfuro[2,3-h]chromen-4-one
CID 141466718
6,8-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 59800838
8-chloro-7-cyclopropyl-2-(4-hydroxyphenyl)chromen-4-one
CID 155894878
7-hydroxy-2-(4-methylphenyl)chromen-4-one
CID 10848398
8-hydroxy-2-(4-hydroxyphenyl)pyrano[2,3-b]pyridin-8-ium-4-one
CID 143220049
6-chloro-8-methyl-2-(4-methylphenyl)chromen-4-one
CID 13190880
2-(4-bromophenyl)-8-chlorochromen-4-one
CID 164809854
8-(hydroxymethyl)-2-phenylchromen-4-one
CID 141073629

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-8-methylchromen-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-8-methylchromen-4-one (CID 24721527) is 2-(4-hydroxyphenyl)-8-methylchromen-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-8-methylchromen-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-8-methylchromen-4-one is Cc1cccc2c(=O)cc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-8-methylchromen-4-one?
The InChIKey is RPCGURLQRMCCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3/c1-10-3-2-4-13-14(18)9-15(19-16(10)13)11-5-7-12(17)8-6-11/h2-9,17H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-8-methylchromen-4-one?
2-(4-hydroxyphenyl)-8-methylchromen-4-one has a molecular weight of 252.27 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-8-methylchromen-4-one is sourced from PubChem (CID 24721527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).