2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde

C13H14Cl2O — CID 87324074

IUPAC2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde
SMILESO=CC(c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H14Cl2O/c14-12-6-5-10(7-13(12)15)11(8-16)9-3-1-2-4-9/h5-9,11H,1-4H2
InChIKeyFGAYTGWASGAKPF-UHFFFAOYSA-N
MW257.16 g/mol
LogP4.47
Rot. Bonds3

About 2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde

2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde (PubChem CID 87324074) has the molecular formula C13H14Cl2O and a molecular weight of 257.16 g/mol. Its IUPAC name is 2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde
PubChem CID87324074
Molecular FormulaC13H14Cl2O
Molecular Weight257.16 g/mol
Exact Mass256.04
IUPAC Name2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde
SMILESO=CC(c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C13H14Cl2O/c14-12-6-5-10(7-13(12)15)11(8-16)9-3-1-2-4-9/h5-9,11H,1-4H2
InChIKeyFGAYTGWASGAKPF-UHFFFAOYSA-N
XLogP4.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 54.47
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-(4-chlorophenyl)-2-cyclopentylacetaldehyde
CID 102576146
2-cyclopentyl-2-(4-fluorophenyl)acetaldehyde
CID 105458969
cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087
[bromo-(3,4-dichlorophenyl)methyl]cycloheptane
CID 63445197
2-(2-chlorophenyl)-2-cyclohexylacetaldehyde
CID 105498571
2-cyclohexyl-1-(3,4-dichlorophenyl)ethanol
CID 63426977
(1R,2S)-2-amino-1-cyclopentyl-2-(3,4-dichlorophenyl)ethanol;hydrochloride
CID 171162489
(2R)-2-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 94256868
N-[1-(3,4-dichlorophenyl)ethyl]cyclohexanamine
CID 43078885
3-(3,4-dichlorophenyl)-2-methylbutanal
CID 123198585
methyl 3-cycloheptyl-2-(3,4-dichlorophenyl)propanoate
CID 46221151
N-[1-(3,4-dichlorophenyl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 43223783

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde?
The IUPAC name of 2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde (CID 87324074) is 2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde.
What is the SMILES notation for 2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde?
The canonical SMILES for 2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde is O=CC(c1ccc(Cl)c(Cl)c1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde?
The InChIKey is FGAYTGWASGAKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O/c14-12-6-5-10(7-13(12)15)11(8-16)9-3-1-2-4-9/h5-9,11H,1-4H2.
What are the key properties of 2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde?
2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde has a molecular weight of 257.16 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(3,4-dichlorophenyl)acetaldehyde is sourced from PubChem (CID 87324074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).