1-(3-bromocyclopentyl)-4-propan-2-ylbenzene

C14H19Br — CID 64507146

IUPAC1-(3-bromocyclopentyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C2CCC(Br)C2)cc1
InChIInChI=1S/C14H19Br/c1-10(2)11-3-5-12(6-4-11)13-7-8-14(15)9-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyMOBDINHZXLJSNQ-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.84
Rot. Bonds2

About 1-(3-bromocyclopentyl)-4-propan-2-ylbenzene

1-(3-bromocyclopentyl)-4-propan-2-ylbenzene (PubChem CID 64507146) has the molecular formula C14H19Br and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-(3-bromocyclopentyl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(3-bromocyclopentyl)-4-propan-2-ylbenzene
PubChem CID64507146
Molecular FormulaC14H19Br
Molecular Weight267.21 g/mol
Exact Mass266.07
IUPAC Name1-(3-bromocyclopentyl)-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(C2CCC(Br)C2)cc1
InChIInChI=1S/C14H19Br/c1-10(2)11-3-5-12(6-4-11)13-7-8-14(15)9-13/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyMOBDINHZXLJSNQ-UHFFFAOYSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(3-bromocyclopentyl)-4-propan-2-ylbenzene 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

1-bromo-3-(4-propan-2-ylphenyl)cycloheptane
CID 64506515
1-tert-butyl-4-[3-(4-propan-2-ylphenyl)cyclopentyl]benzene
CID 58371806
2-[3-(4-propan-2-ylphenyl)cyclopentyl]acetic acid
CID 82295362
1-propan-2-yl-4-[4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexyl]benzene
CID 159561903
4-(3-bromocyclopentyl)-1,2-difluorobenzene
CID 64508939
3-(4-propan-2-ylphenyl)thiolane
CID 168806701
1-(4-cyclopropylphenyl)ethanamine
CID 55211304
1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
CID 118284741
3-(4-propan-2-ylphenyl)cyclopentan-1-one
CID 64519954
1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene
CID 59166669
3-(4-propan-2-ylphenyl)piperidine
CID 58015975
3-(3-bromocyclopentyl)thiophene
CID 65102125

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromocyclopentyl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(3-bromocyclopentyl)-4-propan-2-ylbenzene (CID 64507146) is 1-(3-bromocyclopentyl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(3-bromocyclopentyl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(3-bromocyclopentyl)-4-propan-2-ylbenzene is CC(C)c1ccc(C2CCC(Br)C2)cc1.
What is the InChIKey of 1-(3-bromocyclopentyl)-4-propan-2-ylbenzene?
The InChIKey is MOBDINHZXLJSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Br/c1-10(2)11-3-5-12(6-4-11)13-7-8-14(15)9-13/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of 1-(3-bromocyclopentyl)-4-propan-2-ylbenzene?
1-(3-bromocyclopentyl)-4-propan-2-ylbenzene has a molecular weight of 267.21 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromocyclopentyl)-4-propan-2-ylbenzene is sourced from PubChem (CID 64507146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).