(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone

C15H12ClFO2 — CID 43379564

IUPAC(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(F)cccc2Cl)cc1C
InChIInChI=1S/C15H12ClFO2/c1-9-8-10(6-7-13(9)19-2)15(18)14-11(16)4-3-5-12(14)17/h3-8H,1-2H3
InChIKeyHTAVBENBJZZEFN-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.03
Rot. Bonds3

About (2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone

(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone (PubChem CID 43379564) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
PubChem CID43379564
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2c(F)cccc2Cl)cc1C
InChIInChI=1S/C15H12ClFO2/c1-9-8-10(6-7-13(9)19-2)15(18)14-11(16)4-3-5-12(14)17/h3-8H,1-2H3
InChIKeyHTAVBENBJZZEFN-UHFFFAOYSA-N
XLogP4.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chloro-6-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474062
(2-bromo-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114558708
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(4-chloro-3-methoxyphenyl)-(2,6-difluorophenyl)methanone
CID 79697438
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
2-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)ethanone
CID 43379521
(E)-3-(2-chloro-6-fluorophenyl)-1-(4-methoxy-3-methylphenyl)prop-2-en-1-one
CID 39433513
(Z)-3-(2-chloro-6-fluorophenyl)-2-(4-methoxy-3-methylphenyl)prop-2-enoic acid
CID 83952941
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
2-chloro-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-6-fluorobenzamide
CID 108537784
(2-chloro-6-fluorophenyl)-(3,4-diethylphenyl)methanone
CID 115481855
(3,5-difluorophenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 79020458

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The IUPAC name of (2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone (CID 43379564) is (2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone.
What is the SMILES notation for (2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The canonical SMILES for (2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone is COc1ccc(C(=O)c2c(F)cccc2Cl)cc1C.
What is the InChIKey of (2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
The InChIKey is HTAVBENBJZZEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-9-8-10(6-7-13(9)19-2)15(18)14-11(16)4-3-5-12(14)17/h3-8H,1-2H3.
What are the key properties of (2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone?
(2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone has a molecular weight of 278.71 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone is sourced from PubChem (CID 43379564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).