(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone

C15H12BrClO — CID 141141548

IUPAC(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C15H12BrClO/c1-2-10-6-3-4-7-11(10)15(18)12-8-5-9-13(16)14(12)17/h3-9H,2H2,1H3
InChIKeyOPQXPNDNMLJJNO-UHFFFAOYSA-N
MW323.62 g/mol
LogP4.90
Rot. Bonds3

About (3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone

(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone (PubChem CID 141141548) has the molecular formula C15H12BrClO and a molecular weight of 323.62 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
PubChem CID141141548
Molecular FormulaC15H12BrClO
Molecular Weight323.62 g/mol
Exact Mass321.98
IUPAC Name(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone
SMILESCCc1ccccc1C(=O)c1cccc(Br)c1Cl
InChIInChI=1S/C15H12BrClO/c1-2-10-6-3-4-7-11(10)15(18)12-8-5-9-13(16)14(12)17/h3-9H,2H2,1H3
InChIKeyOPQXPNDNMLJJNO-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.62
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 114970193
3-bromo-2-chloro-N,N-diethylbenzamide
CID 103975185
3-bromo-2-chloro-N-(2-propylphenyl)benzamide
CID 103988574
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
(3-bromo-2-chlorophenyl)-(3-propylphenyl)methanone
CID 115812265
(2-ethylphenyl)-(2-fluorophenyl)methanone
CID 83393999
(3-bromo-2-chlorophenyl)-(4-bromo-2,5-dimethoxyphenyl)methanone
CID 105056365
(3-bromo-2-chlorophenyl)-(3-bromo-4-ethoxyphenyl)methanone
CID 104656941
(2-bromonaphthalen-1-yl)-(2-ethylphenyl)methanone
CID 58180804
1-(3-bromo-2-chlorophenyl)nonan-1-one
CID 114966915
bis(3-benzyl-2-chlorophenyl)methanone
CID 141224767
(3-bromo-2-chlorophenyl)-(3-bromo-4-propoxyphenyl)methanone
CID 104657103

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone (CID 141141548) is (3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone is CCc1ccccc1C(=O)c1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone?
The InChIKey is OPQXPNDNMLJJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClO/c1-2-10-6-3-4-7-11(10)15(18)12-8-5-9-13(16)14(12)17/h3-9H,2H2,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone?
(3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone has a molecular weight of 323.62 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(2-ethylphenyl)methanone is sourced from PubChem (CID 141141548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).