1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene

C14H19BrO — CID 64747332

IUPAC1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene
SMILESCC1CCC(Oc2ccccc2CBr)CC1
InChIInChI=1S/C14H19BrO/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15/h2-5,11,13H,6-10H2,1H3
InChIKeyVZAFGJVDGYYRMX-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.54
Rot. Bonds3

About 1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene

1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene (PubChem CID 64747332) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene
PubChem CID64747332
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene
SMILESCC1CCC(Oc2ccccc2CBr)CC1
InChIInChI=1S/C14H19BrO/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15/h2-5,11,13H,6-10H2,1H3
InChIKeyVZAFGJVDGYYRMX-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene 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-methyl-N-[[2-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64748080
3-[2-(bromomethyl)phenoxy]thiolane 1,1-dioxide
CID 61058893
[2-(4-methylcyclohexyl)oxyphenyl]boronic acid
CID 64747344
1-cyclopentyloxy-2-(2-methylpropyl)benzene
CID 142580992
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
1-(bromomethyl)-2-[2-(bromomethyl)phenoxy]benzene;ethane
CID 91089449
1-(3,4-dimethylcyclohexyl)oxy-2-ethylbenzene
CID 64765860
4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
CID 64747736
3-(2-cyclopropyloxyphenyl)propan-1-amine
CID 117282623
1-(bromomethyl)-2-(cyclobutylmethoxy)benzene
CID 58083522
[2-(4-ethylcyclohexyl)oxyphenyl]methanamine
CID 19627431
[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
CID 64748065

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene?
The IUPAC name of 1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene (CID 64747332) is 1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene is CC1CCC(Oc2ccccc2CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene?
The InChIKey is VZAFGJVDGYYRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-11-6-8-13(9-7-11)16-14-5-3-2-4-12(14)10-15/h2-5,11,13H,6-10H2,1H3.
What are the key properties of 1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene?
1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene has a molecular weight of 283.21 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(4-methylcyclohexyl)oxybenzene is sourced from PubChem (CID 64747332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).