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

C14H9ClF2O2 — CID 79699081

IUPAC(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
SMILESCOc1cc(C(=O)c2cc(F)ccc2F)ccc1Cl
InChIInChI=1S/C14H9ClF2O2/c1-19-13-6-8(2-4-11(13)15)14(18)10-7-9(16)3-5-12(10)17/h2-7H,1H3
InChIKeyBXVMXTVLVCZLPS-UHFFFAOYSA-N
MW282.67 g/mol
LogP3.86
Rot. Bonds3

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

(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone (PubChem CID 79699081) has the molecular formula C14H9ClF2O2 and a molecular weight of 282.67 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
PubChem CID79699081
Molecular FormulaC14H9ClF2O2
Molecular Weight282.67 g/mol
Exact Mass282.03
IUPAC Name(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
SMILESCOc1cc(C(=O)c2cc(F)ccc2F)ccc1Cl
InChIInChI=1S/C14H9ClF2O2/c1-19-13-6-8(2-4-11(13)15)14(18)10-7-9(16)3-5-12(10)17/h2-7H,1H3
InChIKeyBXVMXTVLVCZLPS-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-3-methoxyphenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 115781836
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(3-bromo-4-fluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 82809769
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
CID 63048757
(4-bromo-2,6-difluorophenyl)-(4-chloro-3-methoxyphenyl)methanone
CID 115781775
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(4-chloro-3-methoxyphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115781862
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
(2-chloro-4,5-dimethoxyphenyl)-(4-chloro-3-fluorophenyl)methanone
CID 107998262
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone (CID 79699081) is (4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone is COc1cc(C(=O)c2cc(F)ccc2F)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone?
The InChIKey is BXVMXTVLVCZLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O2/c1-19-13-6-8(2-4-11(13)15)14(18)10-7-9(16)3-5-12(10)17/h2-7H,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone?
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone has a molecular weight of 282.67 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone is sourced from PubChem (CID 79699081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).