(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone

C15H12ClFO2 — CID 63048757

IUPAC(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)ccc2C)cc1Cl
InChIInChI=1S/C15H12ClFO2/c1-9-3-5-11(17)8-12(9)15(18)10-4-6-14(19-2)13(16)7-10/h3-8H,1-2H3
InChIKeyXVFLZAUNIQNYRS-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.03
Rot. Bonds3

About (3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone

(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone (PubChem CID 63048757) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is (3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
PubChem CID63048757
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name(3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)c2cc(F)ccc2C)cc1Cl
InChIInChI=1S/C15H12ClFO2/c1-9-3-5-11(17)8-12(9)15(18)10-4-6-14(19-2)13(16)7-10/h3-8H,1-2H3
InChIKeyXVFLZAUNIQNYRS-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

(5-fluoro-2-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209421
(4-chloro-3-methoxyphenyl)-(2,5-difluorophenyl)methanone
CID 79699081
(3-chloro-4-methoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 79749846
(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
CID 43339771
(3-bromo-4-methylphenyl)-(3-chloro-4-methoxyphenyl)methanone
CID 81471530
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955
(2-amino-4-fluorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 113417701
(5-fluoro-2-methoxyphenyl)-(3-fluorophenyl)methanone
CID 43339656
(5-fluoro-2-methoxyphenyl)-(4-hydroxyphenyl)methanone
CID 82086032

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone?
The IUPAC name of (3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone (CID 63048757) is (3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone?
The canonical SMILES for (3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone is COc1ccc(C(=O)c2cc(F)ccc2C)cc1Cl.
What is the InChIKey of (3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone?
The InChIKey is XVFLZAUNIQNYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-9-3-5-11(17)8-12(9)15(18)10-4-6-14(19-2)13(16)7-10/h3-8H,1-2H3.
What are the key properties of (3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone?
(3-chloro-4-methoxyphenyl)-(5-fluoro-2-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 (3-chloro-4-methoxyphenyl)-(5-fluoro-2-methylphenyl)methanone is sourced from PubChem (CID 63048757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).