3-cyclopentyl-4-hydroxybenzaldehyde

C12H14O2 — CID 23439068

IUPAC3-cyclopentyl-4-hydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(C2CCCC2)c1
InChIInChI=1S/C12H14O2/c13-8-9-5-6-12(14)11(7-9)10-3-1-2-4-10/h5-8,10,14H,1-4H2
InChIKeyODGXCXOYLUGQBF-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.86
Rot. Bonds2

About 3-cyclopentyl-4-hydroxybenzaldehyde

3-cyclopentyl-4-hydroxybenzaldehyde (PubChem CID 23439068) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-cyclopentyl-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-cyclopentyl-4-hydroxybenzaldehyde
PubChem CID23439068
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-cyclopentyl-4-hydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(C2CCCC2)c1
InChIInChI=1S/C12H14O2/c13-8-9-5-6-12(14)11(7-9)10-3-1-2-4-10/h5-8,10,14H,1-4H2
InChIKeyODGXCXOYLUGQBF-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-4-hydroxybenzaldehyde?
The IUPAC name of 3-cyclopentyl-4-hydroxybenzaldehyde (CID 23439068) is 3-cyclopentyl-4-hydroxybenzaldehyde.
What is the SMILES notation for 3-cyclopentyl-4-hydroxybenzaldehyde?
The canonical SMILES for 3-cyclopentyl-4-hydroxybenzaldehyde is O=Cc1ccc(O)c(C2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-4-hydroxybenzaldehyde?
The InChIKey is ODGXCXOYLUGQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-8-9-5-6-12(14)11(7-9)10-3-1-2-4-10/h5-8,10,14H,1-4H2.
What are the key properties of 3-cyclopentyl-4-hydroxybenzaldehyde?
3-cyclopentyl-4-hydroxybenzaldehyde has a molecular weight of 190.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-4-hydroxybenzaldehyde is sourced from PubChem (CID 23439068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).