2-(4-chlorophenyl)-2-cyclopentylacetaldehyde

C13H15ClO — CID 102576146

IUPAC2-(4-chlorophenyl)-2-cyclopentylacetaldehyde
SMILESO=CC(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C13H15ClO/c14-12-7-5-11(6-8-12)13(9-15)10-3-1-2-4-10/h5-10,13H,1-4H2
InChIKeyOPXSIYDBQCLQFU-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.81
Rot. Bonds3

About 2-(4-chlorophenyl)-2-cyclopentylacetaldehyde

2-(4-chlorophenyl)-2-cyclopentylacetaldehyde (PubChem CID 102576146) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopentylacetaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopentylacetaldehyde
PubChem CID102576146
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name2-(4-chlorophenyl)-2-cyclopentylacetaldehyde
SMILESO=CC(c1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/C13H15ClO/c14-12-7-5-11(6-8-12)13(9-15)10-3-1-2-4-10/h5-10,13H,1-4H2
InChIKeyOPXSIYDBQCLQFU-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.81
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

2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde
CID 105458969
2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde
CID 87324074
2-(4-bromophenyl)-2-cyclobutylacetaldehyde
CID 115047072
2-(2-chlorophenyl)-2-cyclohexylacetaldehyde
CID 105498571
(4-chlorophenyl)-cyclooctylmethanamine
CID 65018889
1-chloro-4-(1-cyclopentyl-2-methylpropyl)benzene
CID 171593388
(4-chlorophenyl)-cyclohexylmethanamine
CID 12559039
2-cyclopropyl-2-(4-ethylphenyl)acetaldehyde
CID 12603975
1-chloro-4-(1,2-dicyclohexylethyl)benzene
CID 57050049
(2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde
CID 155391344
2-(4-chlorophenyl)-N-cyclopentyl-3-methylbutanamide
CID 60631278
1-(4-chlorophenyl)-1-cyclopentyl-N-methylmethanamine
CID 43481459

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopentylacetaldehyde?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopentylacetaldehyde (CID 102576146) is 2-(4-chlorophenyl)-2-cyclopentylacetaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopentylacetaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopentylacetaldehyde is O=CC(c1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopentylacetaldehyde?
The InChIKey is OPXSIYDBQCLQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c14-12-7-5-11(6-8-12)13(9-15)10-3-1-2-4-10/h5-10,13H,1-4H2.
What are the key properties of 2-(4-chlorophenyl)-2-cyclopentylacetaldehyde?
2-(4-chlorophenyl)-2-cyclopentylacetaldehyde has a molecular weight of 222.72 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopentylacetaldehyde is sourced from PubChem (CID 102576146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).