6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one

C23H16Cl2O3 — CID 7747603

IUPAC6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
SMILESCc1cc2oc(-c3ccccc3)c(OCc3ccc(Cl)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C23H16Cl2O3/c1-14-11-20-18(12-19(14)25)21(26)23(22(28-20)16-5-3-2-4-6-16)27-13-15-7-9-17(24)10-8-15/h2-12H,13H2,1H3
InChIKeyOONYEVCAQLIABP-UHFFFAOYSA-N
MW411.28 g/mol
LogP6.65
Rot. Bonds4

About 6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one

6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one (PubChem CID 7747603) has the molecular formula C23H16Cl2O3 and a molecular weight of 411.28 g/mol. Its IUPAC name is 6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
PubChem CID7747603
Molecular FormulaC23H16Cl2O3
Molecular Weight411.28 g/mol
Exact Mass410.05
IUPAC Name6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
SMILESCc1cc2oc(-c3ccccc3)c(OCc3ccc(Cl)cc3)c(=O)c2cc1Cl
InChIInChI=1S/C23H16Cl2O3/c1-14-11-20-18(12-19(14)25)21(26)23(22(28-20)16-5-3-2-4-6-16)27-13-15-7-9-17(24)10-8-15/h2-12H,13H2,1H3
InChIKeyOONYEVCAQLIABP-UHFFFAOYSA-N
XLogP6.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.28
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721
6-chloro-3-[(2-chloro-6-fluorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 21001040
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
methyl 4-[[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl]oxymethyl]benzoate
CID 21001172
6-chloro-2-(4-methoxyphenyl)-7-methyl-3-(naphthalen-1-ylmethoxy)chromen-4-one
CID 21001350
(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl) 2-fluorobenzoate
CID 7747780
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide
CID 21000983
2-(2-chlorophenyl)-3-[(3,4-dichlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999641
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999766
2-(4-tert-butylphenyl)-3-[(3-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999553

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one?
The IUPAC name of 6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one (CID 7747603) is 6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one?
The canonical SMILES for 6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one is Cc1cc2oc(-c3ccccc3)c(OCc3ccc(Cl)cc3)c(=O)c2cc1Cl.
What is the InChIKey of 6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one?
The InChIKey is OONYEVCAQLIABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2O3/c1-14-11-20-18(12-19(14)25)21(26)23(22(28-20)16-5-3-2-4-6-16)27-13-15-7-9-17(24)10-8-15/h2-12H,13H2,1H3.
What are the key properties of 6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one?
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one has a molecular weight of 411.28 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 7747603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).