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

C22H13Cl3O3 — CID 21000417

IUPAC6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
SMILESO=c1c(OCc2cccc(Cl)c2)c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C22H13Cl3O3/c23-15-6-4-14(5-7-15)21-22(27-12-13-2-1-3-16(24)10-13)20(26)18-11-17(25)8-9-19(18)28-21/h1-11H,12H2
InChIKeyDUXUARIPTJMNKZ-UHFFFAOYSA-N
MW431.70 g/mol
LogP7.00
Rot. Bonds4

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

6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one (PubChem CID 21000417) has the molecular formula C22H13Cl3O3 and a molecular weight of 431.70 g/mol. Its IUPAC name is 6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
PubChem CID21000417
Molecular FormulaC22H13Cl3O3
Molecular Weight431.70 g/mol
Exact Mass429.99
IUPAC Name6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
SMILESO=c1c(OCc2cccc(Cl)c2)c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc12
InChIInChI=1S/C22H13Cl3O3/c23-15-6-4-14(5-7-15)21-22(27-12-13-2-1-3-16(24)10-13)20(26)18-11-17(25)8-9-19(18)28-21/h1-11H,12H2
InChIKeyDUXUARIPTJMNKZ-UHFFFAOYSA-N
XLogP7.00
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.70
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 21000612
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624
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
6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
CID 102287336
5-[[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid
CID 21000428
6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001716
3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999859
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one?
The IUPAC name of 6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one (CID 21000417) is 6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one.
What is the SMILES notation for 6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one?
The canonical SMILES for 6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one is O=c1c(OCc2cccc(Cl)c2)c(-c2ccc(Cl)cc2)oc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one?
The InChIKey is DUXUARIPTJMNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Cl3O3/c23-15-6-4-14(5-7-15)21-22(27-12-13-2-1-3-16(24)10-13)20(26)18-11-17(25)8-9-19(18)28-21/h1-11H,12H2.
What are the key properties of 6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one?
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one has a molecular weight of 431.70 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one is sourced from PubChem (CID 21000417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).