5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene

C16H23BrO — CID 64750283

IUPAC5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene
SMILESCc1cc(CBr)cc(C)c1OC1CCC(C)CC1
InChIInChI=1S/C16H23BrO/c1-11-4-6-15(7-5-11)18-16-12(2)8-14(10-17)9-13(16)3/h8-9,11,15H,4-7,10H2,1-3H3
InChIKeyXDWVKBVQZVAJEB-UHFFFAOYSA-N
MW311.26 g/mol
LogP5.16
Rot. Bonds3

About 5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene

5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene (PubChem CID 64750283) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene
PubChem CID64750283
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene
SMILESCc1cc(CBr)cc(C)c1OC1CCC(C)CC1
InChIInChI=1S/C16H23BrO/c1-11-4-6-15(7-5-11)18-16-12(2)8-14(10-17)9-13(16)3/h8-9,11,15H,4-7,10H2,1-3H3
InChIKeyXDWVKBVQZVAJEB-UHFFFAOYSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.26
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-(bromomethyl)-1,3-dimethyl-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-[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 64776281
3-[4-(bromomethyl)-2,6-dimethylphenoxy]oxolane
CID 63557572
N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64749252
3-[4-(bromomethyl)-2,6-dimethylphenoxy]thiolane 1,1-dioxide
CID 54914835
3,5-dimethyl-4-(4-methylcyclohexyl)oxybenzoic acid
CID 64749295
[5-bromo-3-methyl-2-(4-methylcyclohexyl)oxyphenyl]methanol
CID 112621149
5-bromo-1-(chloromethyl)-3-methyl-2-(4-methylcyclohexyl)oxybenzene
CID 112621258
4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
CID 64747736
4-[4-[(3,5-dimethyl-4-piperidin-4-yloxyphenyl)methyl]-2,6-dimethylphenoxy]piperidine
CID 10224086
1-bromo-5-(bromomethyl)-2-(3,4-dimethylcyclohexyl)oxy-3-methoxybenzene
CID 64738583
2-[3,5-difluoro-4-(4-methylcyclohexyl)oxyphenyl]ethanamine
CID 79887676
5-(bromomethyl)-2-cyclohexyloxy-1,3-difluorobenzene
CID 79888123

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene?
The IUPAC name of 5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene (CID 64750283) is 5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene.
What is the SMILES notation for 5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene?
The canonical SMILES for 5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene is Cc1cc(CBr)cc(C)c1OC1CCC(C)CC1.
What is the InChIKey of 5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene?
The InChIKey is XDWVKBVQZVAJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-11-4-6-15(7-5-11)18-16-12(2)8-14(10-17)9-13(16)3/h8-9,11,15H,4-7,10H2,1-3H3.
What are the key properties of 5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene?
5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene has a molecular weight of 311.26 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-1,3-dimethyl-2-(4-methylcyclohexyl)oxybenzene is sourced from PubChem (CID 64750283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).