3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one

C24H18O4 — CID 102502970

IUPAC3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3C)c3ccccc3oc2=O)cc1
InChIInChI=1S/C24H18O4/c1-15-7-3-4-8-18(15)21-19-9-5-6-10-20(19)28-24(26)22(21)23(25)16-11-13-17(27-2)14-12-16/h3-14H,1-2H3
InChIKeyAADRTASYACHRBY-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.01
Rot. Bonds4

About 3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one

3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one (PubChem CID 102502970) has the molecular formula C24H18O4 and a molecular weight of 370.40 g/mol. Its IUPAC name is 3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one.

Molecular Properties

Compound Name3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one
PubChem CID102502970
Molecular FormulaC24H18O4
Molecular Weight370.40 g/mol
Exact Mass370.12
IUPAC Name3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one
SMILESCOc1ccc(C(=O)c2c(-c3ccccc3C)c3ccccc3oc2=O)cc1
InChIInChI=1S/C24H18O4/c1-15-7-3-4-8-18(15)21-19-9-5-6-10-20(19)28-24(26)22(21)23(25)16-11-13-17(27-2)14-12-16/h3-14H,1-2H3
InChIKeyAADRTASYACHRBY-UHFFFAOYSA-N
XLogP5.01
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-(2-phenyl-1-benzofuran-3-yl)methanone
CID 6613416
3-benzoyl-4-phenylchromen-2-one
CID 629843
3-benzoyl-4-hydroxychromen-2-one
CID 135407308
(4-chlorophenyl)-[3-(4-methoxyphenyl)-1-benzofuran-2-yl]methanone
CID 10713712
(3-butyl-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
CID 160606304
[2-(4-hydroxyphenyl)-1-benzofuran-3-yl]-(4-methoxyphenyl)methanone
CID 54105837
(2-ethyl-4-methyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 177260422
[6-hydroxy-3-(2-methylphenyl)-1-benzothiophen-2-yl]-(4-methoxyphenyl)methanone
CID 67599570
8-(4-methoxybenzoyl)-11-methyl-11-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaene-10,12-dione
CID 101078433
1-benzofuran-3-yl-(4-methoxyphenyl)methanone
CID 21487962
3-(4-hydroxy-2-oxochromen-3-yl)-3-(4-methoxyphenyl)propanoic acid
CID 54687528
6-bromo-3-(4-methoxybenzoyl)-4-[(E)-2-phenylethenyl]chromen-2-one
CID 164686714

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one?
The IUPAC name of 3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one (CID 102502970) is 3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one.
What is the SMILES notation for 3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one?
The canonical SMILES for 3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one is COc1ccc(C(=O)c2c(-c3ccccc3C)c3ccccc3oc2=O)cc1.
What is the InChIKey of 3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one?
The InChIKey is AADRTASYACHRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18O4/c1-15-7-3-4-8-18(15)21-19-9-5-6-10-20(19)28-24(26)22(21)23(25)16-11-13-17(27-2)14-12-16/h3-14H,1-2H3.
What are the key properties of 3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one?
3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one has a molecular weight of 370.40 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybenzoyl)-4-(2-methylphenyl)chromen-2-one is sourced from PubChem (CID 102502970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).