1-(4-bromophenyl)cyclohexane-1-carbaldehyde

C13H15BrO — CID 82133968

IUPAC1-(4-bromophenyl)cyclohexane-1-carbaldehyde
SMILESO=CC1(c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H15BrO/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChIKeyODBXAPLHMHVYPQ-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.85
Rot. Bonds2

About 1-(4-bromophenyl)cyclohexane-1-carbaldehyde

1-(4-bromophenyl)cyclohexane-1-carbaldehyde (PubChem CID 82133968) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 1-(4-bromophenyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-bromophenyl)cyclohexane-1-carbaldehyde
PubChem CID82133968
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name1-(4-bromophenyl)cyclohexane-1-carbaldehyde
SMILESO=CC1(c2ccc(Br)cc2)CCCCC1
InChIInChI=1S/C13H15BrO/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChIKeyODBXAPLHMHVYPQ-UHFFFAOYSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)cyclohexane-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(4-bromophenyl)cyclohexane-1-carbaldehyde (CID 82133968) is 1-(4-bromophenyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(4-bromophenyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(4-bromophenyl)cyclohexane-1-carbaldehyde is O=CC1(c2ccc(Br)cc2)CCCCC1.
What is the InChIKey of 1-(4-bromophenyl)cyclohexane-1-carbaldehyde?
The InChIKey is ODBXAPLHMHVYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7,10H,1-3,8-9H2.
What are the key properties of 1-(4-bromophenyl)cyclohexane-1-carbaldehyde?
1-(4-bromophenyl)cyclohexane-1-carbaldehyde has a molecular weight of 267.17 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 82133968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).