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

C24H18Cl2O5 — CID 21000612

IUPAC6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C24H18Cl2O5/c1-28-20-8-6-15(11-21(20)29-2)23-24(30-13-14-4-3-5-16(25)10-14)22(27)18-12-17(26)7-9-19(18)31-23/h3-12H,13H2,1-2H3
InChIKeyOFBLIBXFSCFLBZ-UHFFFAOYSA-N
MW457.31 g/mol
LogP6.36
Rot. Bonds6

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

6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one (PubChem CID 21000612) has the molecular formula C24H18Cl2O5 and a molecular weight of 457.31 g/mol. Its IUPAC name is 6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
PubChem CID21000612
Molecular FormulaC24H18Cl2O5
Molecular Weight457.31 g/mol
Exact Mass456.05
IUPAC Name6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2cccc(Cl)c2)cc1OC
InChIInChI=1S/C24H18Cl2O5/c1-28-20-8-6-15(11-21(20)29-2)23-24(30-13-14-4-3-5-16(25)10-14)22(27)18-12-17(26)7-9-19(18)31-23/h3-12H,13H2,1-2H3
InChIKeyOFBLIBXFSCFLBZ-UHFFFAOYSA-N
XLogP6.36
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.31
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-[(4-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999860
propan-2-yl 4-[[6-chloro-2-(3,4-dimethoxyphenyl)-4-oxochromen-3-yl]oxymethyl]benzoate
CID 21000621
3-[(3-chlorophenyl)methoxy]-2-(4-methoxyphenyl)-6,7-dimethylchromen-4-one
CID 20999766
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
6-chloro-3-[(2,6-dichlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)-7-methylchromen-4-one
CID 21001413
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624
6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
CID 102287336
6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001716

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one?
The IUPAC name of 6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one (CID 21000612) is 6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one.
What is the SMILES notation for 6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one?
The canonical SMILES for 6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one is COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2cccc(Cl)c2)cc1OC.
What is the InChIKey of 6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one?
The InChIKey is OFBLIBXFSCFLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2O5/c1-28-20-8-6-15(11-21(20)29-2)23-24(30-13-14-4-3-5-16(25)10-14)22(27)18-12-17(26)7-9-19(18)31-23/h3-12H,13H2,1-2H3.
What are the key properties of 6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one?
6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one has a molecular weight of 457.31 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one is sourced from PubChem (CID 21000612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).