2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one

C24H18Cl2O3 — CID 20999721

IUPAC2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccc(Cl)cc3)c(OCc3ccc(Cl)cc3)c(=O)c2cc1C
InChIInChI=1S/C24H18Cl2O3/c1-14-11-20-21(12-15(14)2)29-23(17-5-9-19(26)10-6-17)24(22(20)27)28-13-16-3-7-18(25)8-4-16/h3-12H,13H2,1-2H3
InChIKeyBLJNEZGMUAYWHI-UHFFFAOYSA-N
MW425.31 g/mol
LogP6.96
Rot. Bonds4

About 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one

2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one (PubChem CID 20999721) has the molecular formula C24H18Cl2O3 and a molecular weight of 425.31 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
PubChem CID20999721
Molecular FormulaC24H18Cl2O3
Molecular Weight425.31 g/mol
Exact Mass424.06
IUPAC Name2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
SMILESCc1cc2oc(-c3ccc(Cl)cc3)c(OCc3ccc(Cl)cc3)c(=O)c2cc1C
InChIInChI=1S/C24H18Cl2O3/c1-14-11-20-21(12-15(14)2)29-23(17-5-9-19(26)10-6-17)24(22(20)27)28-13-16-3-7-18(25)8-4-16/h3-12H,13H2,1-2H3
InChIKeyBLJNEZGMUAYWHI-UHFFFAOYSA-N
XLogP6.96
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.31
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
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
6-chloro-2-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methoxy]chromen-4-one
CID 21000610
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999641
methyl 4-[[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl]oxymethyl]benzoate
CID 21001172
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide
CID 20999730
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 20999729

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one (CID 20999721) is 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one is Cc1cc2oc(-c3ccc(Cl)cc3)c(OCc3ccc(Cl)cc3)c(=O)c2cc1C.
What is the InChIKey of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one?
The InChIKey is BLJNEZGMUAYWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2O3/c1-14-11-20-21(12-15(14)2)29-23(17-5-9-19(26)10-6-17)24(22(20)27)28-13-16-3-7-18(25)8-4-16/h3-12H,13H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one?
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one has a molecular weight of 425.31 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one is sourced from PubChem (CID 20999721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).