(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone

C15H11Cl2FO3 — CID 107998262

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2ccc(Cl)c(F)c2)cc1OC
InChIInChI=1S/C15H11Cl2FO3/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)8-3-4-10(16)12(18)5-8/h3-7H,1-2H3
InChIKeyHPOLBPWCCZIRDI-UHFFFAOYSA-N
MW329.15 g/mol
LogP4.38
Rot. Bonds4

About (2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone

(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone (PubChem CID 107998262) has the molecular formula C15H11Cl2FO3 and a molecular weight of 329.15 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
PubChem CID107998262
Molecular FormulaC15H11Cl2FO3
Molecular Weight329.15 g/mol
Exact Mass328.01
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2ccc(Cl)c(F)c2)cc1OC
InChIInChI=1S/C15H11Cl2FO3/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)8-3-4-10(16)12(18)5-8/h3-7H,1-2H3
InChIKeyHPOLBPWCCZIRDI-UHFFFAOYSA-N
XLogP4.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.15
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethoxyphenyl)methanone
CID 107949762
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
CID 62649157
(4-amino-3-methoxyphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 104785073
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(3-bromo-4-chlorophenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 107998395
(4-amino-3-methoxyphenyl)-(2,5-dichloro-4-methoxyphenyl)methanone
CID 104785092
(4-bromo-2-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43805127
(4-chloro-3-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107998406
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone (CID 107998262) is (2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone is COc1cc(Cl)c(C(=O)c2ccc(Cl)c(F)c2)cc1OC.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone?
The InChIKey is HPOLBPWCCZIRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2FO3/c1-20-13-6-9(11(17)7-14(13)21-2)15(19)8-3-4-10(16)12(18)5-8/h3-7H,1-2H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone?
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone has a molecular weight of 329.15 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone is sourced from PubChem (CID 107998262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).