1-(4-chlorophenyl)cyclohexane-1-carbaldehyde

C13H15ClO — CID 21475899

IUPAC1-(4-chlorophenyl)cyclohexane-1-carbaldehyde
SMILESO=CC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C13H15ClO/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChIKeyJTXMYSLUZIORHL-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.74
Rot. Bonds2

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

1-(4-chlorophenyl)cyclohexane-1-carbaldehyde (PubChem CID 21475899) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-chlorophenyl)cyclohexane-1-carbaldehyde
PubChem CID21475899
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name1-(4-chlorophenyl)cyclohexane-1-carbaldehyde
SMILESO=CC1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C13H15ClO/c14-12-6-4-11(5-7-12)13(10-15)8-2-1-3-9-13/h4-7,10H,1-3,8-9H2
InChIKeyJTXMYSLUZIORHL-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.74
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

1-(4-bromophenyl)cyclohexane-1-carbaldehyde
CID 82133968
1-(3,4-difluorophenyl)cyclohexane-1-carbaldehyde
CID 86614756
1-phenylcyclohexane-1-carbaldehyde
CID 14922606
1-(3-chlorophenyl)cyclohexane-1-carbaldehyde
CID 82127956
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
1-(3-chlorophenyl)cyclopentane-1-carbaldehyde
CID 14382190
1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde
CID 22722131
1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde
CID 105488768
1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde
CID 82129814
1-(5-chloro-2-fluorophenyl)cyclobutane-1-carbaldehyde
CID 83806101
1-(2-chlorophenyl)cyclohexane-1-carbaldehyde
CID 82127955
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
CID 91148792

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(4-chlorophenyl)cyclohexane-1-carbaldehyde (CID 21475899) is 1-(4-chlorophenyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(4-chlorophenyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(4-chlorophenyl)cyclohexane-1-carbaldehyde is O=CC1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)cyclohexane-1-carbaldehyde?
The InChIKey is JTXMYSLUZIORHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/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-chlorophenyl)cyclohexane-1-carbaldehyde?
1-(4-chlorophenyl)cyclohexane-1-carbaldehyde has a molecular weight of 222.72 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 21475899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).