(3-bromo-2-methylphenyl)-cyclohexylmethanone

C14H17BrO — CID 114962200

IUPAC(3-bromo-2-methylphenyl)-cyclohexylmethanone
SMILESCc1c(Br)cccc1C(=O)C1CCCCC1
InChIInChI=1S/C14H17BrO/c1-10-12(8-5-9-13(10)15)14(16)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyMPAQYEKCCBOYEN-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.52
Rot. Bonds2

About (3-bromo-2-methylphenyl)-cyclohexylmethanone

(3-bromo-2-methylphenyl)-cyclohexylmethanone (PubChem CID 114962200) has the molecular formula C14H17BrO and a molecular weight of 281.19 g/mol. Its IUPAC name is (3-bromo-2-methylphenyl)-cyclohexylmethanone.

Molecular Properties

Compound Name(3-bromo-2-methylphenyl)-cyclohexylmethanone
PubChem CID114962200
Molecular FormulaC14H17BrO
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name(3-bromo-2-methylphenyl)-cyclohexylmethanone
SMILESCc1c(Br)cccc1C(=O)C1CCCCC1
InChIInChI=1S/C14H17BrO/c1-10-12(8-5-9-13(10)15)14(16)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3
InChIKeyMPAQYEKCCBOYEN-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chloro-2-methylphenyl)-cycloheptylmethanone
CID 107101795
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
(3-bromo-2-methylphenyl)-(3,4-dimethylcyclohexyl)methanone
CID 114975482
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
(3-bromo-2-methylphenyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 115783936
(3S)-1-(3-bromo-2-methylbenzoyl)piperidine-3-carboxylic acid
CID 81125596
[2-(bromomethyl)azepan-1-yl]-(3-bromo-2-methylphenyl)methanone
CID 116639435
N-(3-bromo-2-methylphenyl)-N-methylcyclohexanecarboxamide
CID 86681328
N-(3-bromo-2-methylphenyl)cyclopentanecarboxamide
CID 103639120
(7-bromo-1-benzothiophen-3-yl)-cycloheptylmethanone
CID 81142341
3-bromo-N-[2-(cycloheptylamino)ethyl]-2-methylbenzamide
CID 81486868
3-bromo-2-methylbenzoic acid;(3-bromo-2-methylphenyl)-pyrrolidin-1-ylmethanone;cyclopentane
CID 160501593

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-methylphenyl)-cyclohexylmethanone?
The IUPAC name of (3-bromo-2-methylphenyl)-cyclohexylmethanone (CID 114962200) is (3-bromo-2-methylphenyl)-cyclohexylmethanone.
What is the SMILES notation for (3-bromo-2-methylphenyl)-cyclohexylmethanone?
The canonical SMILES for (3-bromo-2-methylphenyl)-cyclohexylmethanone is Cc1c(Br)cccc1C(=O)C1CCCCC1.
What is the InChIKey of (3-bromo-2-methylphenyl)-cyclohexylmethanone?
The InChIKey is MPAQYEKCCBOYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO/c1-10-12(8-5-9-13(10)15)14(16)11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7H2,1H3.
What are the key properties of (3-bromo-2-methylphenyl)-cyclohexylmethanone?
(3-bromo-2-methylphenyl)-cyclohexylmethanone has a molecular weight of 281.19 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-methylphenyl)-cyclohexylmethanone is sourced from PubChem (CID 114962200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).