1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid

C14H17BrO2 — CID 65402725

IUPAC1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
SMILESCC1CCC(Cc2ccccc2Br)(C(=O)O)C1
InChIInChI=1S/C14H17BrO2/c1-10-6-7-14(8-10,13(16)17)9-11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyLGLJNBJBTYCIGM-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.88
Rot. Bonds3

About 1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid

1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid (PubChem CID 65402725) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
PubChem CID65402725
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
SMILESCC1CCC(Cc2ccccc2Br)(C(=O)O)C1
InChIInChI=1S/C14H17BrO2/c1-10-6-7-14(8-10,13(16)17)9-11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H,16,17)
InChIKeyLGLJNBJBTYCIGM-UHFFFAOYSA-N
XLogP3.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65400694
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65400296
3-methyl-1-(naphthalen-1-ylmethyl)cyclohexane-1-carboxylic acid
CID 65393655
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65393451
1-[(2,4-difluorophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid
CID 65401902
1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65392622
1-[[(2-bromophenyl)methylamino]methyl]cyclopropane-1-carboxylic acid
CID 115242975
1-[2-(3-bromophenoxy)ethyl]-3-methylcyclopentane-1-carboxylic acid
CID 65402118
1-[(2-bromophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65080509
1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
CID 64745866
[1-[(2-bromophenyl)methyl]-3-methylcyclohexyl]methanamine
CID 65394458
4-[(2-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2,4-dicarboxylic acid
CID 174241690

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid (CID 65402725) is 1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid is CC1CCC(Cc2ccccc2Br)(C(=O)O)C1.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid?
The InChIKey is LGLJNBJBTYCIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-10-6-7-14(8-10,13(16)17)9-11-4-2-3-5-12(11)15/h2-5,10H,6-9H2,1H3,(H,16,17).
What are the key properties of 1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid?
1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid has a molecular weight of 297.19 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 65402725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).