(2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone

C14H16Br2O — CID 107176655

IUPAC(2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone
SMILESCc1cc(Br)c(C(=O)C2CCCC2C)cc1Br
InChIInChI=1S/C14H16Br2O/c1-8-4-3-5-10(8)14(17)11-7-12(15)9(2)6-13(11)16/h6-8,10H,3-5H2,1-2H3
InChIKeyAVJWPZUIAWDUBM-UHFFFAOYSA-N
MW360.09 g/mol
LogP5.14
Rot. Bonds2

About (2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone

(2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone (PubChem CID 107176655) has the molecular formula C14H16Br2O and a molecular weight of 360.09 g/mol. Its IUPAC name is (2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone.

Molecular Properties

Compound Name(2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone
PubChem CID107176655
Molecular FormulaC14H16Br2O
Molecular Weight360.09 g/mol
Exact Mass357.96
IUPAC Name(2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone
SMILESCc1cc(Br)c(C(=O)C2CCCC2C)cc1Br
InChIInChI=1S/C14H16Br2O/c1-8-4-3-5-10(8)14(17)11-7-12(15)9(2)6-13(11)16/h6-8,10H,3-5H2,1-2H3
InChIKeyAVJWPZUIAWDUBM-UHFFFAOYSA-N
XLogP5.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.09
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-bromo-2-methylthiophen-3-yl)-(2-methylcyclopentyl)methanone
CID 107176586
(4-bromothiophen-3-yl)-(2-methylcyclopentyl)methanone
CID 107187237
(2,3-dimethylphenyl)-(2-methylcyclopentyl)methanone
CID 107186866
(2,5-dibromo-4-methylphenyl)-piperidin-2-ylmethanone
CID 81473912
(2,5-dibromo-4-methylphenyl)-(2,2-dimethylcyclopropyl)methanone
CID 107000802
(2,5-dibromo-4-methylphenyl)-piperidin-3-ylmethanone
CID 81473911
(4-fluoro-3,5-dimethylphenyl)-(2-methylcyclopentyl)methanone
CID 107176582
cis-(1R,2S)-2-(2-methylbenzoyl)cyclopentane-1-carboxylic acid
CID 24722312
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
CID 107176233
1-(2,5-dibromo-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 81468584
(5-chloro-2-methoxyphenyl)-(2-methylcyclopentyl)methanone
CID 107176707
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,5-dibromo-4-methylphenyl)methanone
CID 81468479

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone?
The IUPAC name of (2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone (CID 107176655) is (2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone.
What is the SMILES notation for (2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone?
The canonical SMILES for (2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone is Cc1cc(Br)c(C(=O)C2CCCC2C)cc1Br.
What is the InChIKey of (2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone?
The InChIKey is AVJWPZUIAWDUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2O/c1-8-4-3-5-10(8)14(17)11-7-12(15)9(2)6-13(11)16/h6-8,10H,3-5H2,1-2H3.
What are the key properties of (2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone?
(2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone has a molecular weight of 360.09 g/mol, XLogP of 5.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromo-4-methylphenyl)-(2-methylcyclopentyl)methanone is sourced from PubChem (CID 107176655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).