(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone

C14H10BrClO2 — CID 43339911

IUPAC(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
SMILESCOc1ccc(Br)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H10BrClO2/c1-18-13-7-6-9(15)8-11(13)14(17)10-4-2-3-5-12(10)16/h2-8H,1H3
InChIKeyYJRXGWHUUUGWLD-UHFFFAOYSA-N
MW325.59 g/mol
LogP4.34
Rot. Bonds3

About (5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone

(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone (PubChem CID 43339911) has the molecular formula C14H10BrClO2 and a molecular weight of 325.59 g/mol. Its IUPAC name is (5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
PubChem CID43339911
Molecular FormulaC14H10BrClO2
Molecular Weight325.59 g/mol
Exact Mass323.96
IUPAC Name(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone
SMILESCOc1ccc(Br)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C14H10BrClO2/c1-18-13-7-6-9(15)8-11(13)14(17)10-4-2-3-5-12(10)16/h2-8H,1H3
InChIKeyYJRXGWHUUUGWLD-UHFFFAOYSA-N
XLogP4.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.59
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanone
CID 623894
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
(5-bromo-2-methoxyphenyl)-(2,6-dimethoxyphenyl)methanone
CID 43339938
(5-bromo-2-methylphenyl)-(2-chlorophenyl)methanone
CID 114963344
5-bromo-N-(2-chlorophenyl)-2-methoxybenzamide
CID 1121307
2-(5-bromo-2-methoxyphenyl)-1-(2-chlorophenyl)ethanone
CID 62098415
methyl 3-(4-bromo-2-chlorobenzoyl)-4-methoxybenzoate
CID 67314174
(5-bromo-2-methoxyphenyl)-(3-bromophenyl)methanone
CID 43161777
(2-chlorophenyl)-(2,4-dibromophenyl)methanone
CID 107944284
(E)-N-[4-bromo-2-(2-chlorobenzoyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 2248694
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
(5-chloro-2-methoxyphenyl)-(2,3-dichlorophenyl)methanone
CID 86028415

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone?
The IUPAC name of (5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone (CID 43339911) is (5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone?
The canonical SMILES for (5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone is COc1ccc(Br)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of (5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone?
The InChIKey is YJRXGWHUUUGWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO2/c1-18-13-7-6-9(15)8-11(13)14(17)10-4-2-3-5-12(10)16/h2-8H,1H3.
What are the key properties of (5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone?
(5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone has a molecular weight of 325.59 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxyphenyl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 43339911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).