1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde

C14H18O — CID 131113832

IUPAC1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde
SMILESCc1ccc(CC2(C=O)CCCC2)cc1
InChIInChI=1S/C14H18O/c1-12-4-6-13(7-5-12)10-14(11-15)8-2-3-9-14/h4-7,11H,2-3,8-10H2,1H3
InChIKeyIZOXZECYWIMHPA-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.30
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde

1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde (PubChem CID 131113832) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde
PubChem CID131113832
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde
SMILESCc1ccc(CC2(C=O)CCCC2)cc1
InChIInChI=1S/C14H18O/c1-12-4-6-13(7-5-12)10-14(11-15)8-2-3-9-14/h4-7,11H,2-3,8-10H2,1H3
InChIKeyIZOXZECYWIMHPA-UHFFFAOYSA-N
XLogP3.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde?
The IUPAC name of 1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde (CID 131113832) is 1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde?
The canonical SMILES for 1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde is Cc1ccc(CC2(C=O)CCCC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde?
The InChIKey is IZOXZECYWIMHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-12-4-6-13(7-5-12)10-14(11-15)8-2-3-9-14/h4-7,11H,2-3,8-10H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde?
1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde has a molecular weight of 202.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]cyclopentane-1-carbaldehyde is sourced from PubChem (CID 131113832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).