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

C17H14O4 — CID 139992853

IUPAC7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one
SMILESCOc1ccc(-c2oc3cc(O)ccc3c(=O)c2C)cc1
InChIInChI=1S/C17H14O4/c1-10-16(19)14-8-5-12(18)9-15(14)21-17(10)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3
InChIKeyZNQYRALZZBZTGO-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.48
Rot. Bonds2

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

7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one (PubChem CID 139992853) has the molecular formula C17H14O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one
PubChem CID139992853
Molecular FormulaC17H14O4
Molecular Weight282.30 g/mol
Exact Mass282.09
IUPAC Name7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one
SMILESCOc1ccc(-c2oc3cc(O)ccc3c(=O)c2C)cc1
InChIInChI=1S/C17H14O4/c1-10-16(19)14-8-5-12(18)9-15(14)21-17(10)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3
InChIKeyZNQYRALZZBZTGO-UHFFFAOYSA-N
XLogP3.48
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde
CID 46236305
[4-(7-methoxy-3-methyl-4-oxochromen-2-yl)phenyl] 3,5-diaminobenzoate
CID 139992676
2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 11579699
3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
CID 157253645
2-[3,5-bis(4-aminophenoxy)phenyl]-7-methoxy-3-methylchromen-4-one
CID 139992545
3,7-dihydroxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 6250403
7-methoxy-2-(4-methoxyphenyl)-4-oxochromene-3-carbonitrile
CID 71378369
7-hydroxy-3-[(4-methoxyphenyl)diazenyl]-4-methylchromen-2-one
CID 135456776
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-methylchromen-4-one
CID 15661821
7-hydroxy-2-[(4-methoxyphenyl)methyl]chromen-4-one
CID 10708015
methyl 2-[2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxypropanoate
CID 5172607
2-(3-hydroxy-4-methylphenyl)-3,7-dimethylchromen-4-one
CID 90834685

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one?
The IUPAC name of 7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one (CID 139992853) is 7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one.
What is the SMILES notation for 7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one?
The canonical SMILES for 7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one is COc1ccc(-c2oc3cc(O)ccc3c(=O)c2C)cc1.
What is the InChIKey of 7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one?
The InChIKey is ZNQYRALZZBZTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O4/c1-10-16(19)14-8-5-12(18)9-15(14)21-17(10)11-3-6-13(20-2)7-4-11/h3-9,18H,1-2H3.
What are the key properties of 7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one?
7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one has a molecular weight of 282.30 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one is sourced from PubChem (CID 139992853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).