6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one

C23H16Cl2O3 — CID 7746678

IUPAC6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H16Cl2O3/c1-14-2-6-16(7-3-14)22-23(27-13-15-4-8-17(24)9-5-15)21(26)19-12-18(25)10-11-20(19)28-22/h2-12H,13H2,1H3
InChIKeyBIGMFTVFLXJJGZ-UHFFFAOYSA-N
MW411.28 g/mol
LogP6.65
Rot. Bonds4

About 6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one

6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one (PubChem CID 7746678) has the molecular formula C23H16Cl2O3 and a molecular weight of 411.28 g/mol. Its IUPAC name is 6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
PubChem CID7746678
Molecular FormulaC23H16Cl2O3
Molecular Weight411.28 g/mol
Exact Mass410.05
IUPAC Name6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H16Cl2O3/c1-14-2-6-16(7-3-14)22-23(27-13-15-4-8-17(24)9-5-15)21(26)19-12-18(25)10-11-20(19)28-22/h2-12H,13H2,1H3
InChIKeyBIGMFTVFLXJJGZ-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

6-chloro-2-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methoxy]chromen-4-one
CID 21000610
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746679
5-[[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid
CID 21000428
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
6-chloro-3-[3-(4-methylphenoxy)propoxy]-2-phenylchromen-4-one
CID 7746607
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
CID 102287336
6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
CID 10406627
6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 21000612

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one (CID 7746678) is 6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one is Cc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
The InChIKey is BIGMFTVFLXJJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2O3/c1-14-2-6-16(7-3-14)22-23(27-13-15-4-8-17(24)9-5-15)21(26)19-12-18(25)10-11-20(19)28-22/h2-12H,13H2,1H3.
What are the key properties of 6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one?
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-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]-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 7746678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).