1-phenylcyclopentane-1-carbaldehyde

C12H14O — CID 11095124

IUPAC1-phenylcyclopentane-1-carbaldehyde
SMILESO=CC1(c2ccccc2)CCCC1
InChIInChI=1S/C12H14O/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyKZCVVVIPPHGCOH-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.70
Rot. Bonds2

About 1-phenylcyclopentane-1-carbaldehyde

1-phenylcyclopentane-1-carbaldehyde (PubChem CID 11095124) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-phenylcyclopentane-1-carbaldehyde.

Molecular Properties

Compound Name1-phenylcyclopentane-1-carbaldehyde
PubChem CID11095124
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-phenylcyclopentane-1-carbaldehyde
SMILESO=CC1(c2ccccc2)CCCC1
InChIInChI=1S/C12H14O/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2
InChIKeyKZCVVVIPPHGCOH-UHFFFAOYSA-N
XLogP2.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.70
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-phenylcyclopentane-1-carbaldehyde?
The IUPAC name of 1-phenylcyclopentane-1-carbaldehyde (CID 11095124) is 1-phenylcyclopentane-1-carbaldehyde.
What is the SMILES notation for 1-phenylcyclopentane-1-carbaldehyde?
The canonical SMILES for 1-phenylcyclopentane-1-carbaldehyde is O=CC1(c2ccccc2)CCCC1.
What is the InChIKey of 1-phenylcyclopentane-1-carbaldehyde?
The InChIKey is KZCVVVIPPHGCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2.
What are the key properties of 1-phenylcyclopentane-1-carbaldehyde?
1-phenylcyclopentane-1-carbaldehyde has a molecular weight of 174.24 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylcyclopentane-1-carbaldehyde is sourced from PubChem (CID 11095124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).