4-(3-hydroxycyclopentyl)benzaldehyde

C12H14O2 — CID 115018169

IUPAC4-(3-hydroxycyclopentyl)benzaldehyde
SMILESO=Cc1ccc(C2CCC(O)C2)cc1
InChIInChI=1S/C12H14O2/c13-8-9-1-3-10(4-2-9)11-5-6-12(14)7-11/h1-4,8,11-12,14H,5-7H2
InChIKeyZWUUGHRIRNWFIG-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.13
Rot. Bonds2

About 4-(3-hydroxycyclopentyl)benzaldehyde

4-(3-hydroxycyclopentyl)benzaldehyde (PubChem CID 115018169) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 4-(3-hydroxycyclopentyl)benzaldehyde.

Molecular Properties

Compound Name4-(3-hydroxycyclopentyl)benzaldehyde
PubChem CID115018169
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name4-(3-hydroxycyclopentyl)benzaldehyde
SMILESO=Cc1ccc(C2CCC(O)C2)cc1
InChIInChI=1S/C12H14O2/c13-8-9-1-3-10(4-2-9)11-5-6-12(14)7-11/h1-4,8,11-12,14H,5-7H2
InChIKeyZWUUGHRIRNWFIG-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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 4-(3-hydroxycyclopentyl)benzaldehyde?
The IUPAC name of 4-(3-hydroxycyclopentyl)benzaldehyde (CID 115018169) is 4-(3-hydroxycyclopentyl)benzaldehyde.
What is the SMILES notation for 4-(3-hydroxycyclopentyl)benzaldehyde?
The canonical SMILES for 4-(3-hydroxycyclopentyl)benzaldehyde is O=Cc1ccc(C2CCC(O)C2)cc1.
What is the InChIKey of 4-(3-hydroxycyclopentyl)benzaldehyde?
The InChIKey is ZWUUGHRIRNWFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c13-8-9-1-3-10(4-2-9)11-5-6-12(14)7-11/h1-4,8,11-12,14H,5-7H2.
What are the key properties of 4-(3-hydroxycyclopentyl)benzaldehyde?
4-(3-hydroxycyclopentyl)benzaldehyde has a molecular weight of 190.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxycyclopentyl)benzaldehyde is sourced from PubChem (CID 115018169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).