1-(3-chlorophenyl)cyclopentane-1-carbaldehyde

C12H13ClO — CID 14382190

IUPAC1-(3-chlorophenyl)cyclopentane-1-carbaldehyde
SMILESO=CC1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C12H13ClO/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h3-5,8-9H,1-2,6-7H2
InChIKeyKPPUMMABCUQJHF-UHFFFAOYSA-N
MW208.69 g/mol
LogP3.35
Rot. Bonds2

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

1-(3-chlorophenyl)cyclopentane-1-carbaldehyde (PubChem CID 14382190) has the molecular formula C12H13ClO and a molecular weight of 208.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-(3-chlorophenyl)cyclopentane-1-carbaldehyde
PubChem CID14382190
Molecular FormulaC12H13ClO
Molecular Weight208.69 g/mol
Exact Mass208.07
IUPAC Name1-(3-chlorophenyl)cyclopentane-1-carbaldehyde
SMILESO=CC1(c2cccc(Cl)c2)CCCC1
InChIInChI=1S/C12H13ClO/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h3-5,8-9H,1-2,6-7H2
InChIKeyKPPUMMABCUQJHF-UHFFFAOYSA-N
XLogP3.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 53.35
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-(3-chlorophenyl)cyclohexane-1-carbaldehyde
CID 82127956
4-(3-chlorophenyl)oxane-4-carbaldehyde
CID 42553293
1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde
CID 105488735
1-(4-chlorophenyl)cyclohexane-1-carbaldehyde
CID 21475899
1-phenylcyclohexane-1-carbaldehyde
CID 14922606
1-(3,4-difluorophenyl)cyclohexane-1-carbaldehyde
CID 86614756
1-(7-chloronaphthalen-2-yl)cyclopropane-1-carbaldehyde
CID 105488768
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
1-(5-chloro-2-fluorophenyl)cyclobutane-1-carbaldehyde
CID 83806101
1-(3-chlorophenyl)cyclopentane-1-carboxylate
CID 26365664
1-phenylcyclopropane-1-carbaldehyde
CID 11008055
1-[1-(3-chlorophenyl)cyclobutyl]propane-1,2-dione
CID 122222520

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)cyclopentane-1-carbaldehyde?
The IUPAC name of 1-(3-chlorophenyl)cyclopentane-1-carbaldehyde (CID 14382190) is 1-(3-chlorophenyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-(3-chlorophenyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-(3-chlorophenyl)cyclopentane-1-carbaldehyde is O=CC1(c2cccc(Cl)c2)CCCC1.
What is the InChIKey of 1-(3-chlorophenyl)cyclopentane-1-carbaldehyde?
The InChIKey is KPPUMMABCUQJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO/c13-11-5-3-4-10(8-11)12(9-14)6-1-2-7-12/h3-5,8-9H,1-2,6-7H2.
What are the key properties of 1-(3-chlorophenyl)cyclopentane-1-carbaldehyde?
1-(3-chlorophenyl)cyclopentane-1-carbaldehyde has a molecular weight of 208.69 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 14382190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).