2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one

C25H21ClO3 — CID 7742670

IUPAC2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
SMILESCc1cccc(COc2c(-c3ccccc3Cl)oc3cc(C)c(C)cc3c2=O)c1
InChIInChI=1S/C25H21ClO3/c1-15-7-6-8-18(11-15)14-28-25-23(27)20-12-16(2)17(3)13-22(20)29-24(25)19-9-4-5-10-21(19)26/h4-13H,14H2,1-3H3
InChIKeyVIKPKQTZEJATKS-UHFFFAOYSA-N
MW404.89 g/mol
LogP6.62
Rot. Bonds4

About 2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one

2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one (PubChem CID 7742670) has the molecular formula C25H21ClO3 and a molecular weight of 404.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
PubChem CID7742670
Molecular FormulaC25H21ClO3
Molecular Weight404.89 g/mol
Exact Mass404.12
IUPAC Name2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
SMILESCc1cccc(COc2c(-c3ccccc3Cl)oc3cc(C)c(C)cc3c2=O)c1
InChIInChI=1S/C25H21ClO3/c1-15-7-6-8-18(11-15)14-28-25-23(27)20-12-16(2)17(3)13-22(20)29-24(25)19-9-4-5-10-21(19)26/h4-13H,14H2,1-3H3
InChIKeyVIKPKQTZEJATKS-UHFFFAOYSA-N
XLogP6.62
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.89
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999641
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 7742654
ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742658
[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl] furan-2-carboxylate
CID 7742643
2-(4-tert-butylphenyl)-3-[(3-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999553
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999766
3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999859
3-[(3,4-dichlorophenyl)methoxy]-2-(furan-2-yl)-6,7-dimethylchromen-4-one
CID 7742926
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721
6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
CID 7747823
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide
CID 20999683
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one?
The IUPAC name of 2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one (CID 7742670) is 2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one.
What is the SMILES notation for 2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one?
The canonical SMILES for 2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one is Cc1cccc(COc2c(-c3ccccc3Cl)oc3cc(C)c(C)cc3c2=O)c1.
What is the InChIKey of 2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one?
The InChIKey is VIKPKQTZEJATKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClO3/c1-15-7-6-8-18(11-15)14-28-25-23(27)20-12-16(2)17(3)13-22(20)29-24(25)19-9-4-5-10-21(19)26/h4-13H,14H2,1-3H3.
What are the key properties of 2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one?
2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one has a molecular weight of 404.89 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one is sourced from PubChem (CID 7742670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).