1-(3-chlorophenyl)cyclohexane-1-carbaldehyde

C13H15ClO — CID 82127956

IUPAC1-(3-chlorophenyl)cyclohexane-1-carbaldehyde
SMILESO=CC1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C13H15ClO/c14-12-6-4-5-11(9-12)13(10-15)7-2-1-3-8-13/h4-6,9-10H,1-3,7-8H2
InChIKeyLSLQXNUTQWDYBM-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.74
Rot. Bonds2

About 1-(3-chlorophenyl)cyclohexane-1-carbaldehyde

1-(3-chlorophenyl)cyclohexane-1-carbaldehyde (PubChem CID 82127956) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-(3-chlorophenyl)cyclohexane-1-carbaldehyde
PubChem CID82127956
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name1-(3-chlorophenyl)cyclohexane-1-carbaldehyde
SMILESO=CC1(c2cccc(Cl)c2)CCCCC1
InChIInChI=1S/C13H15ClO/c14-12-6-4-5-11(9-12)13(10-15)7-2-1-3-8-13/h4-6,9-10H,1-3,7-8H2
InChIKeyLSLQXNUTQWDYBM-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)cyclohexane-1-carbaldehyde?
The IUPAC name of 1-(3-chlorophenyl)cyclohexane-1-carbaldehyde (CID 82127956) is 1-(3-chlorophenyl)cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-(3-chlorophenyl)cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-(3-chlorophenyl)cyclohexane-1-carbaldehyde is O=CC1(c2cccc(Cl)c2)CCCCC1.
What is the InChIKey of 1-(3-chlorophenyl)cyclohexane-1-carbaldehyde?
The InChIKey is LSLQXNUTQWDYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c14-12-6-4-5-11(9-12)13(10-15)7-2-1-3-8-13/h4-6,9-10H,1-3,7-8H2.
What are the key properties of 1-(3-chlorophenyl)cyclohexane-1-carbaldehyde?
1-(3-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-(3-chlorophenyl)cyclohexane-1-carbaldehyde is sourced from PubChem (CID 82127956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).