1-bromo-4-cyclopentyloxybenzene

C11H13BrO — CID 22599958

IUPAC1-bromo-4-cyclopentyloxybenzene
SMILESBrc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C11H13BrO/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyDWMSXAAIGFYBGC-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.77
Rot. Bonds2

About 1-bromo-4-cyclopentyloxybenzene

1-bromo-4-cyclopentyloxybenzene (PubChem CID 22599958) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-bromo-4-cyclopentyloxybenzene.

Molecular Properties

Compound Name1-bromo-4-cyclopentyloxybenzene
PubChem CID22599958
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-bromo-4-cyclopentyloxybenzene
SMILESBrc1ccc(OC2CCCC2)cc1
InChIInChI=1S/C11H13BrO/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4H2
InChIKeyDWMSXAAIGFYBGC-UHFFFAOYSA-N
XLogP3.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-4-cyclopentyloxybenzene 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-4-cyclopropyloxybenzene
CID 50998694
2-bromo-6-cyclopentyloxynaphthalene
CID 63531133
4-(4-bromophenoxy)cyclohexan-1-amine
CID 16756742
4-(4-bromophenoxy)thiane
CID 134090229
4-cycloheptyloxyphenol
CID 67178425
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201
4-cyclopentyloxybenzaldehyde
CID 3152724
cis-(1S,2R)-2-(4-bromophenoxy)cyclopentan-1-amine
CID 67193636
1-cyclohexyloxy-4-phenoxybenzene
CID 70600234
3-(4-bromophenoxy)-1-methylazetidine
CID 84703186
1-bromo-4-(3,3-difluorocyclobutyl)oxybenzene
CID 118560278
1-tert-butyl-4-cyclohexyloxybenzene
CID 10466491

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-cyclopentyloxybenzene?
The IUPAC name of 1-bromo-4-cyclopentyloxybenzene (CID 22599958) is 1-bromo-4-cyclopentyloxybenzene.
What is the SMILES notation for 1-bromo-4-cyclopentyloxybenzene?
The canonical SMILES for 1-bromo-4-cyclopentyloxybenzene is Brc1ccc(OC2CCCC2)cc1.
What is the InChIKey of 1-bromo-4-cyclopentyloxybenzene?
The InChIKey is DWMSXAAIGFYBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c12-9-5-7-11(8-6-9)13-10-3-1-2-4-10/h5-8,10H,1-4H2.
What are the key properties of 1-bromo-4-cyclopentyloxybenzene?
1-bromo-4-cyclopentyloxybenzene has a molecular weight of 241.13 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-cyclopentyloxybenzene is sourced from PubChem (CID 22599958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).