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

C13H15BrO — CID 19097901

IUPAC4-(4-bromophenyl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H15BrO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h5-11H,1-4H2
InChIKeyACGCXIANOSUGIS-UHFFFAOYSA-N
MW267.17 g/mol
LogP3.92
Rot. Bonds2

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

4-(4-bromophenyl)cyclohexane-1-carbaldehyde (PubChem CID 19097901) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 4-(4-bromophenyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name4-(4-bromophenyl)cyclohexane-1-carbaldehyde
PubChem CID19097901
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name4-(4-bromophenyl)cyclohexane-1-carbaldehyde
SMILESO=CC1CCC(c2ccc(Br)cc2)CC1
InChIInChI=1S/C13H15BrO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h5-11H,1-4H2
InChIKeyACGCXIANOSUGIS-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[4-(4-bromophenyl)cyclohexyl]prop-2-enoic acid
CID 19097940
3-[4-(4-bromophenyl)cyclohexyl]prop-2-enoic acid
CID 56635800
1-bromo-4-(4-cyclohexylcyclohexyl)benzene
CID 57247187
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
1-bromo-4-cyclopropylbenzene;N-methylmethanamine;hydrochloride
CID 66919211
1-bromo-4-(4-methylcyclohexyl)benzene
CID 21137228
4-bromobenzaldehyde;4-cyclopropylbenzaldehyde;cyclopropylboronic acid
CID 160651419
4-[4-[4-(4-bromophenyl)cyclohexyl]cyclohexyl]but-3-enoic acid
CID 67844151
(4-bromophenyl)-(4-cyclohexylphenyl)methanone
CID 43338426
1-bromo-4-[4-[4-(4,4-difluorobut-1-enyl)cyclohexyl]cyclohexyl]benzene
CID 54352238
3-[4-(dimethylamino)phenyl]cyclopentane-1-carbaldehyde
CID 123170690
4-(4-bromophenyl)piperidine;hydrochloride
CID 44630758

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 4-(4-bromophenyl)cyclohexane-1-carbaldehyde (CID 19097901) is 4-(4-bromophenyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 4-(4-bromophenyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 4-(4-bromophenyl)cyclohexane-1-carbaldehyde is O=CC1CCC(c2ccc(Br)cc2)CC1.
What is the InChIKey of 4-(4-bromophenyl)cyclohexane-1-carbaldehyde?
The InChIKey is ACGCXIANOSUGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h5-11H,1-4H2.
What are the key properties of 4-(4-bromophenyl)cyclohexane-1-carbaldehyde?
4-(4-bromophenyl)cyclohexane-1-carbaldehyde has a molecular weight of 267.17 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 19097901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).