3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol

C13H17BrO — CID 64907505

IUPAC3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1Cc1ccccc1Br
InChIInChI=1S/C13H17BrO/c1-9-10(6-7-13(9)15)8-11-4-2-3-5-12(11)14/h2-5,9-10,13,15H,6-8H2,1H3
InChIKeyIOUDDMQCTWLVJC-UHFFFAOYSA-N
MW269.18 g/mol
LogP3.40
Rot. Bonds2

About 3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol

3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol (PubChem CID 64907505) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is 3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
PubChem CID64907505
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Name3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1Cc1ccccc1Br
InChIInChI=1S/C13H17BrO/c1-9-10(6-7-13(9)15)8-11-4-2-3-5-12(11)14/h2-5,9-10,13,15H,6-8H2,1H3
InChIKeyIOUDDMQCTWLVJC-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-bromophenyl)methyl]oxan-4-ol
CID 106471230
[2-[(2-bromophenyl)methyl]-4-tert-butylcyclohexyl]methanamine
CID 81011627
3-[(2-chloro-4-methylphenyl)methyl]-2-methylcyclopentan-1-ol
CID 106870221
1-[(3-bromo-2-methylcyclopentyl)methyl]-2-methylbenzene
CID 64909251
N-[[2-[(2-bromophenyl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81024241
2-[(2-bromophenyl)methyl]-1,3-dioxolane
CID 2756954
(2S)-3-[(2-bromophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 71059357
1-[(3-bromo-2-methylcyclopentyl)methyl]naphthalene
CID 64907962
3-[(2-bromophenyl)methyl]piperidin-4-amine
CID 84808609
1-bromo-2-[(5-tert-butyl-2-chlorocyclohexyl)methyl]benzene
CID 63459518
2-[(2-bromophenyl)methyl]-N-propylcyclohexan-1-amine
CID 63399753
3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79818705

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol?
The IUPAC name of 3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol (CID 64907505) is 3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol.
What is the SMILES notation for 3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol?
The canonical SMILES for 3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol is CC1C(O)CCC1Cc1ccccc1Br.
What is the InChIKey of 3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol?
The InChIKey is IOUDDMQCTWLVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrO/c1-9-10(6-7-13(9)15)8-11-4-2-3-5-12(11)14/h2-5,9-10,13,15H,6-8H2,1H3.
What are the key properties of 3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol?
3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol has a molecular weight of 269.18 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)methyl]-2-methylcyclopentan-1-ol is sourced from PubChem (CID 64907505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).