1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene

C16H23BrO — CID 63544491

IUPAC1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene
SMILESCOc1ccc(CC(Br)CC2CCCCC2)cc1
InChIInChI=1S/C16H23BrO/c1-18-16-9-7-14(8-10-16)12-15(17)11-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11-12H2,1H3
InChIKeySIWSVOUXZVHFMK-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.97
Rot. Bonds5

About 1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene

1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene (PubChem CID 63544491) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene
PubChem CID63544491
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene
SMILESCOc1ccc(CC(Br)CC2CCCCC2)cc1
InChIInChI=1S/C16H23BrO/c1-18-16-9-7-14(8-10-16)12-15(17)11-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11-12H2,1H3
InChIKeySIWSVOUXZVHFMK-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene 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

[2-bromo-3-(3-methoxyphenyl)propyl]cycloheptane
CID 114458981
[1-bromo-2-(4-methoxyphenyl)ethyl]cyclooctane
CID 65020671
1-[2-(bromomethyl)-3-cyclopentylpropyl]-4-methoxybenzene
CID 66042501
1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 63017637
2-(cyclopentylmethyl)-3-(4-methoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 63523515
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
2-bromo-1-(1-bromo-2-cyclohexylethyl)-4-methoxybenzene
CID 63443650
1-(1-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 103165731
1-[2-(bromomethyl)-4-cyclopentylbutyl]-4-methoxybenzene
CID 114193331
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
CID 2846450
2-cyclopropyl-3-(4-methoxyphenyl)propanal
CID 83832511
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene?
The IUPAC name of 1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene (CID 63544491) is 1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene is COc1ccc(CC(Br)CC2CCCCC2)cc1.
What is the InChIKey of 1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene?
The InChIKey is SIWSVOUXZVHFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-18-16-9-7-14(8-10-16)12-15(17)11-13-5-3-2-4-6-13/h7-10,13,15H,2-6,11-12H2,1H3.
What are the key properties of 1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene?
1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene has a molecular weight of 311.26 g/mol, XLogP of 4.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-cyclohexylpropyl)-4-methoxybenzene is sourced from PubChem (CID 63544491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).