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

C15H11ClF2O3 — CID 62649157

IUPAC(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2cccc(F)c2F)cc1OC
InChIInChI=1S/C15H11ClF2O3/c1-20-12-6-9(10(16)7-13(12)21-2)15(19)8-4-3-5-11(17)14(8)18/h3-7H,1-2H3
InChIKeyUVSZMLHERNEZJB-UHFFFAOYSA-N
MW312.70 g/mol
LogP3.87
Rot. Bonds4

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

(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone (PubChem CID 62649157) has the molecular formula C15H11ClF2O3 and a molecular weight of 312.70 g/mol. Its IUPAC name is (2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
PubChem CID62649157
Molecular FormulaC15H11ClF2O3
Molecular Weight312.70 g/mol
Exact Mass312.04
IUPAC Name(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone
SMILESCOc1cc(Cl)c(C(=O)c2cccc(F)c2F)cc1OC
InChIInChI=1S/C15H11ClF2O3/c1-20-12-6-9(10(16)7-13(12)21-2)15(19)8-4-3-5-11(17)14(8)18/h3-7H,1-2H3
InChIKeyUVSZMLHERNEZJB-UHFFFAOYSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.70
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(2-chloro-4,5-difluorophenyl)-(2,3-difluorophenyl)methanone
CID 107475712
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(2-amino-5-chlorophenyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 90097176
bis(2-fluoro-3-methoxyphenyl)methanone
CID 70479796
(3-bromo-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107949862
(2,3-difluorophenyl)-(3,4,5-trifluoro-2-methoxyphenyl)methanone
CID 57049068
(3-bromo-4-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 55101814
(3-chloro-2-fluorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 64714149

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone?
The IUPAC name of (2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone (CID 62649157) is (2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone.
What is the SMILES notation for (2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone?
The canonical SMILES for (2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone is COc1cc(Cl)c(C(=O)c2cccc(F)c2F)cc1OC.
What is the InChIKey of (2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone?
The InChIKey is UVSZMLHERNEZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2O3/c1-20-12-6-9(10(16)7-13(12)21-2)15(19)8-4-3-5-11(17)14(8)18/h3-7H,1-2H3.
What are the key properties of (2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone?
(2-chloro-4,5-dimethoxyphenyl)-(2,3-difluorophenyl)methanone has a molecular weight of 312.70 g/mol, XLogP of 3.87, 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)-(2,3-difluorophenyl)methanone is sourced from PubChem (CID 62649157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).