(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone

C15H11BrClFO2 — CID 65440857

IUPAC(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESCOc1cc(C)c(Br)cc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H11BrClFO2/c1-8-5-14(20-2)11(7-12(8)16)15(19)10-4-3-9(17)6-13(10)18/h3-7H,1-2H3
InChIKeyPRVRMJHGGWNANO-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.79
Rot. Bonds3

About (5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone

(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone (PubChem CID 65440857) has the molecular formula C15H11BrClFO2 and a molecular weight of 357.61 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
PubChem CID65440857
Molecular FormulaC15H11BrClFO2
Molecular Weight357.61 g/mol
Exact Mass355.96
IUPAC Name(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
SMILESCOc1cc(C)c(Br)cc1C(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C15H11BrClFO2/c1-8-5-14(20-2)11(7-12(8)16)15(19)10-4-3-9(17)6-13(10)18/h3-7H,1-2H3
InChIKeyPRVRMJHGGWNANO-UHFFFAOYSA-N
XLogP4.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-2-methoxy-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882282
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057194
(4-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301430
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
(5-chloro-2-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561116
(5-bromo-4-fluoro-2-methoxyphenyl)-(4-chlorophenyl)methanone
CID 103394161
(5-bromo-2-methoxy-4-methylphenyl)-(3,4-dimethylphenyl)methanone
CID 65439137
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-methoxyphenyl)methanone
CID 81045720
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
(2-bromo-5-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 104544915
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
The IUPAC name of (5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone (CID 65440857) is (5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
The canonical SMILES for (5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone is COc1cc(C)c(Br)cc1C(=O)c1ccc(Cl)cc1F.
What is the InChIKey of (5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
The InChIKey is PRVRMJHGGWNANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO2/c1-8-5-14(20-2)11(7-12(8)16)15(19)10-4-3-9(17)6-13(10)18/h3-7H,1-2H3.
What are the key properties of (5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone?
(5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone has a molecular weight of 357.61 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-methylphenyl)-(4-chloro-2-fluorophenyl)methanone is sourced from PubChem (CID 65440857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).