(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone

C14H10BrClO — CID 24723106

IUPAC(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2Br)cc1Cl
InChIInChI=1S/C14H10BrClO/c1-9-6-7-10(8-13(9)16)14(17)11-4-2-3-5-12(11)15/h2-8H,1H3
InChIKeyPENBKHGCAXJRAW-UHFFFAOYSA-N
MW309.59 g/mol
LogP4.64
Rot. Bonds2

About (2-bromophenyl)-(3-chloro-4-methylphenyl)methanone

(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone (PubChem CID 24723106) has the molecular formula C14H10BrClO and a molecular weight of 309.59 g/mol. Its IUPAC name is (2-bromophenyl)-(3-chloro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
PubChem CID24723106
Molecular FormulaC14H10BrClO
Molecular Weight309.59 g/mol
Exact Mass307.96
IUPAC Name(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccccc2Br)cc1Cl
InChIInChI=1S/C14H10BrClO/c1-9-6-7-10(8-13(9)16)14(17)11-4-2-3-5-12(11)15/h2-8H,1H3
InChIKeyPENBKHGCAXJRAW-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.59
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(2-bromo-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 63492340
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
[6-(2-bromobenzoyl)naphthalen-2-yl]-(2-bromophenyl)methanone
CID 139602741
(2-bromophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43379600
[2-(2-aminoethyl)phenyl]-(3-chloro-4-methylphenyl)methanone
CID 107561297
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(3-chloro-4-methylphenyl)-(2-propoxyphenyl)methanone
CID 115800840
(3-bromoquinolin-2-yl)-(3-chloro-4-methylphenyl)methanone
CID 107559916
2-(4-bromo-3-methylbenzoyl)benzoic acid
CID 123816011
(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone
CID 107559906

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-(3-chloro-4-methylphenyl)methanone?
The IUPAC name of (2-bromophenyl)-(3-chloro-4-methylphenyl)methanone (CID 24723106) is (2-bromophenyl)-(3-chloro-4-methylphenyl)methanone.
What is the SMILES notation for (2-bromophenyl)-(3-chloro-4-methylphenyl)methanone?
The canonical SMILES for (2-bromophenyl)-(3-chloro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccccc2Br)cc1Cl.
What is the InChIKey of (2-bromophenyl)-(3-chloro-4-methylphenyl)methanone?
The InChIKey is PENBKHGCAXJRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrClO/c1-9-6-7-10(8-13(9)16)14(17)11-4-2-3-5-12(11)15/h2-8H,1H3.
What are the key properties of (2-bromophenyl)-(3-chloro-4-methylphenyl)methanone?
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone has a molecular weight of 309.59 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-(3-chloro-4-methylphenyl)methanone is sourced from PubChem (CID 24723106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).