(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone

C15H12ClFO3 — CID 43339633

IUPAC(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H12ClFO3/c1-19-13-5-3-9(16)7-11(13)15(18)12-8-10(17)4-6-14(12)20-2/h3-8H,1-2H3
InChIKeyKMKFQQNDAGAMPI-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.73
Rot. Bonds4

About (5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone

(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 43339633) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID43339633
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
SMILESCOc1ccc(F)cc1C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C15H12ClFO3/c1-19-13-5-3-9(16)7-11(13)15(18)12-8-10(17)4-6-14(12)20-2/h3-8H,1-2H3
InChIKeyKMKFQQNDAGAMPI-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
(5-fluoro-2-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 56980668
(2,5-difluorophenyl)-(2-methoxy-5-methylphenyl)methanone
CID 62504204
(5-chloro-2-methoxyphenyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 43163494
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116
(2-chloro-3-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 112694005
(5-chloro-2-methoxyphenyl)-(2,3-difluorophenyl)methanone
CID 113425387
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(2-bromo-4-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339651
(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone (CID 43339633) is (5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone is COc1ccc(F)cc1C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is KMKFQQNDAGAMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-13-5-3-9(16)7-11(13)15(18)12-8-10(17)4-6-14(12)20-2/h3-8H,1-2H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone?
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 294.71 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 43339633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).