1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde

C13H15ClO2 — CID 82129814

IUPAC1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde
SMILESCOc1ccc(C2(C=O)CCCC2)cc1Cl
InChIInChI=1S/C13H15ClO2/c1-16-12-5-4-10(8-11(12)14)13(9-15)6-2-3-7-13/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyZDTDAVWEQFDOMN-UHFFFAOYSA-N
MW238.71 g/mol
LogP3.36
Rot. Bonds3

About 1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde

1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde (PubChem CID 82129814) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde
PubChem CID82129814
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde
SMILESCOc1ccc(C2(C=O)CCCC2)cc1Cl
InChIInChI=1S/C13H15ClO2/c1-16-12-5-4-10(8-11(12)14)13(9-15)6-2-3-7-13/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyZDTDAVWEQFDOMN-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-3-methylphenyl)cyclopentane-1-carbaldehyde
CID 82127349
1-(4-methoxy-3-methylphenyl)cyclopropane-1-carbaldehyde
CID 82125542
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
methyl 1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carboxylate
CID 116963848
1-(3-chloro-4-methoxyphenyl)-N-methylcyclohexan-1-amine
CID 82298649
1-(3-chloro-4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 83707869
[1-(3-chloro-4-methoxyphenyl)cyclohexyl]methanamine
CID 82499570
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-(4-chlorophenyl)cyclohexane-1-carbaldehyde
CID 21475899
(3-chloro-4-methoxyphenyl)-(1-methylcyclohexyl)methanone
CID 106826559
1-(3,4-dimethylphenyl)cyclopropane-1-carbaldehyde
CID 83683025
1-(3-cyclopentyloxy-4-methoxyphenyl)-4-oxocyclohexane-1-carbaldehyde
CID 10495633

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde (CID 82129814) is 1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde is COc1ccc(C2(C=O)CCCC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde?
The InChIKey is ZDTDAVWEQFDOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-16-12-5-4-10(8-11(12)14)13(9-15)6-2-3-7-13/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde?
1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde has a molecular weight of 238.71 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)cyclopentane-1-carbaldehyde is sourced from PubChem (CID 82129814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).