(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone

C14H9BrCl2O2 — CID 107987161

IUPAC(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2Br)c(Cl)c1
InChIInChI=1S/C14H9BrCl2O2/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(16)6-12(10)15/h2-7H,1H3
InChIKeyLVZHRCVPPCRKAU-UHFFFAOYSA-N
MW360.03 g/mol
LogP5.00
Rot. Bonds3

About (2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone

(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone (PubChem CID 107987161) has the molecular formula C14H9BrCl2O2 and a molecular weight of 360.03 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
PubChem CID107987161
Molecular FormulaC14H9BrCl2O2
Molecular Weight360.03 g/mol
Exact Mass357.92
IUPAC Name(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(Cl)cc2Br)c(Cl)c1
InChIInChI=1S/C14H9BrCl2O2/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(16)6-12(10)15/h2-7H,1H3
InChIKeyLVZHRCVPPCRKAU-UHFFFAOYSA-N
XLogP5.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.03
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561746
(5-chloro-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561677
(4-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 43561646
(3-bromo-2-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 114019728
(4-chloro-2,5-difluorophenyl)-(2-chloro-4-methoxyphenyl)methanone
CID 82783216
(4-bromo-2-fluorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 60786111
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
(2-bromo-4-chlorophenyl)-(3-chloro-2,4-dimethoxyphenyl)methanone
CID 107987239
(2-bromo-4-methoxyphenyl)-(5-chlorofuran-2-yl)methanone
CID 106683799
(3-amino-2-chlorophenyl)-(2-bromo-4-methoxyphenyl)methanone
CID 112580783
(2-chloro-4-methoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63210027
[2-bromo-4-(bromomethyl)phenyl]-(2,4-dichlorophenyl)methanone
CID 146240510

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The IUPAC name of (2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone (CID 107987161) is (2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone.
What is the SMILES notation for (2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The canonical SMILES for (2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(Cl)cc2Br)c(Cl)c1.
What is the InChIKey of (2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
The InChIKey is LVZHRCVPPCRKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2O2/c1-19-9-3-5-11(13(17)7-9)14(18)10-4-2-8(16)6-12(10)15/h2-7H,1H3.
What are the key properties of (2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone?
(2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone has a molecular weight of 360.03 g/mol, XLogP of 5.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl)-(2-chloro-4-methoxyphenyl)methanone is sourced from PubChem (CID 107987161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).