2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one

C18H16O3 — CID 90834685

IUPAC2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one
SMILESCc1ccc2c(=O)c(C)c(-c3ccc(C)c(O)c3)oc2c1
InChIInChI=1S/C18H16O3/c1-10-4-7-14-16(8-10)21-18(12(3)17(14)20)13-6-5-11(2)15(19)9-13/h4-9,19H,1-3H3
InChIKeyJMYSETNWNIWUIR-UHFFFAOYSA-N
MW280.32 g/mol
LogP4.09
Rot. Bonds1

About 2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one

2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one (PubChem CID 90834685) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one
PubChem CID90834685
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one
SMILESCc1ccc2c(=O)c(C)c(-c3ccc(C)c(O)c3)oc2c1
InChIInChI=1S/C18H16O3/c1-10-4-7-14-16(8-10)21-18(12(3)17(14)20)13-6-5-11(2)15(19)9-13/h4-9,19H,1-3H3
InChIKeyJMYSETNWNIWUIR-UHFFFAOYSA-N
XLogP4.09
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one
CID 139992853
2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methylchromen-4-one
CID 18372894
1-hydroxy-6-methylxanthen-9-one
CID 13031893
2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
4-hydroxy-3,7-dimethylchromen-2-one
CID 54727939
2-(3,4-dimethylphenyl)-3,5-dihydroxy-7-methylchromen-4-one
CID 59679761
[2-hydroxy-5-(3-methyl-4-oxochromen-2-yl)phenyl] hydrogen sulfate
CID 138612850
5-(3-hydroxy-4-methylphenyl)-2-methylphenol
CID 22942672
magnesium 2-(3,4-dimethylphenyl)-3-hydroxychromen-4-one
CID 19939019
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
2-(3,4-dihydroxyphenyl)-3-hydroxy-7-nitrosochromen-4-one
CID 137100206
2-(3,4-dimethylphenyl)-3,5,6,7,8-pentamethylchromen-4-one
CID 101351843

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one?
The IUPAC name of 2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one (CID 90834685) is 2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one.
What is the SMILES notation for 2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one?
The canonical SMILES for 2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one is Cc1ccc2c(=O)c(C)c(-c3ccc(C)c(O)c3)oc2c1.
What is the InChIKey of 2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one?
The InChIKey is JMYSETNWNIWUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-10-4-7-14-16(8-10)21-18(12(3)17(14)20)13-6-5-11(2)15(19)9-13/h4-9,19H,1-3H3.
What are the key properties of 2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one?
2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one has a molecular weight of 280.32 g/mol, XLogP of 4.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one is sourced from PubChem (CID 90834685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).