7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one

C22H16O4 — CID 5408165

IUPAC7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
SMILESCc1oc2cc(O)ccc2c(=O)c1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H16O4/c1-14-22(21(24)19-12-9-17(23)13-20(19)25-14)26-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13,23H,1H3
InChIKeyFQHCMQMJROECIQ-UHFFFAOYSA-N
MW344.37 g/mol
LogP5.27
Rot. Bonds3

About 7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one

7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one (PubChem CID 5408165) has the molecular formula C22H16O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
PubChem CID5408165
Molecular FormulaC22H16O4
Molecular Weight344.37 g/mol
Exact Mass344.10
IUPAC Name7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one
SMILESCc1oc2cc(O)ccc2c(=O)c1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H16O4/c1-14-22(21(24)19-12-9-17(23)13-20(19)25-14)26-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13,23H,1H3
InChIKeyFQHCMQMJROECIQ-UHFFFAOYSA-N
XLogP5.27
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-hydroxy-3-(4-iodophenoxy)-2-methylchromen-4-one
CID 5453334
7-hydroxy-2-methyl-3-(2-phenylphenoxy)chromen-4-one
CID 7140080
3-(4-ethoxyphenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5415951
3-(2-fluorophenoxy)-7-hydroxy-2-methylchromen-4-one
CID 5408610
7-hydroxy-2-methyl-3-(3-methyl-4-propan-2-ylphenoxy)chromen-4-one
CID 7140108
7-hydroxy-3-[4-(4-methylphenyl)phenoxy]-2-(trifluoromethyl)chromen-4-one
CID 7140127
2-methyl-3-phenoxy-7-[(1S)-1-phenylethoxy]chromen-4-one
CID 1109327
ethyl (2R)-2-(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxypropanoate
CID 981923
7-[(2-chlorophenyl)methoxy]-2-methyl-3-phenoxychromen-4-one
CID 1109324
3-benzyl-7-hydroxy-2-methylchromen-4-one
CID 86159483
(2S)-N-(2-methoxy-5-methylphenyl)-2-[2-methyl-4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxy-2-phenylacetamide
CID 2410882
methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
CID 1286937

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one?
The IUPAC name of 7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one (CID 5408165) is 7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one.
What is the SMILES notation for 7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one?
The canonical SMILES for 7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one is Cc1oc2cc(O)ccc2c(=O)c1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one?
The InChIKey is FQHCMQMJROECIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16O4/c1-14-22(21(24)19-12-9-17(23)13-20(19)25-14)26-18-10-7-16(8-11-18)15-5-3-2-4-6-15/h2-13,23H,1H3.
What are the key properties of 7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one?
7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one has a molecular weight of 344.37 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-3-(4-phenylphenoxy)chromen-4-one is sourced from PubChem (CID 5408165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).