2-(2-chlorophenyl)-2-cyclohexylacetaldehyde

C14H17ClO — CID 105498571

IUPAC2-(2-chlorophenyl)-2-cyclohexylacetaldehyde
SMILESO=CC(c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C14H17ClO/c15-14-9-5-4-8-12(14)13(10-16)11-6-2-1-3-7-11/h4-5,8-11,13H,1-3,6-7H2
InChIKeySDPCONCFHKEMCW-UHFFFAOYSA-N
MW236.74 g/mol
LogP4.20
Rot. Bonds3

About 2-(2-chlorophenyl)-2-cyclohexylacetaldehyde

2-(2-chlorophenyl)-2-cyclohexylacetaldehyde (PubChem CID 105498571) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-cyclohexylacetaldehyde.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-cyclohexylacetaldehyde
PubChem CID105498571
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name2-(2-chlorophenyl)-2-cyclohexylacetaldehyde
SMILESO=CC(c1ccccc1Cl)C1CCCCC1
InChIInChI=1S/C14H17ClO/c15-14-9-5-4-8-12(14)13(10-16)11-6-2-1-3-7-11/h4-5,8-11,13H,1-3,6-7H2
InChIKeySDPCONCFHKEMCW-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 54.20
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-(2-chlorophenyl)-2-piperidin-4-ylacetaldehyde
CID 105499900
1-chloro-2-[chloro(cyclohexyl)methyl]benzene
CID 86209125
2-(1-cyclopentyl-2-oxoethyl)benzenesulfinate
CID 174757997
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
2-(4-chlorophenyl)-2-cyclopentylacetaldehyde
CID 102576146
2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde
CID 87324074
3-(2-chlorophenyl)-3-cyclohexylpropanoic acid
CID 82092094
tert-butyl (2R)-2-[(1R)-1-(2-chlorophenyl)-2-oxoethyl]piperidine-1-carboxylate
CID 16720846
(2S)-2-cyclopentyl-2-(2,3-dichloro-4-methoxyphenyl)acetaldehyde
CID 155391344
(2R)-2-(2-chlorophenyl)-2-cyclopentylacetonitrile
CID 27137488
[(2-chlorophenyl)-cyclopentylmethyl]hydrazine
CID 91756387

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-cyclohexylacetaldehyde?
The IUPAC name of 2-(2-chlorophenyl)-2-cyclohexylacetaldehyde (CID 105498571) is 2-(2-chlorophenyl)-2-cyclohexylacetaldehyde.
What is the SMILES notation for 2-(2-chlorophenyl)-2-cyclohexylacetaldehyde?
The canonical SMILES for 2-(2-chlorophenyl)-2-cyclohexylacetaldehyde is O=CC(c1ccccc1Cl)C1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-2-cyclohexylacetaldehyde?
The InChIKey is SDPCONCFHKEMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c15-14-9-5-4-8-12(14)13(10-16)11-6-2-1-3-7-11/h4-5,8-11,13H,1-3,6-7H2.
What are the key properties of 2-(2-chlorophenyl)-2-cyclohexylacetaldehyde?
2-(2-chlorophenyl)-2-cyclohexylacetaldehyde has a molecular weight of 236.74 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-cyclohexylacetaldehyde is sourced from PubChem (CID 105498571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).