2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde

C14H18O2 — CID 118590895

IUPAC2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde
SMILESO=CCc1ccccc1C1(O)CCCCC1
InChIInChI=1S/C14H18O2/c15-11-8-12-6-2-3-7-13(12)14(16)9-4-1-5-10-14/h2-3,6-7,11,16H,1,4-5,8-10H2
InChIKeyWDAZYWKFXBAJLM-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.58
Rot. Bonds3

About 2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde

2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde (PubChem CID 118590895) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde
PubChem CID118590895
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde
SMILESO=CCc1ccccc1C1(O)CCCCC1
InChIInChI=1S/C14H18O2/c15-11-8-12-6-2-3-7-13(12)14(16)9-4-1-5-10-14/h2-3,6-7,11,16H,1,4-5,8-10H2
InChIKeyWDAZYWKFXBAJLM-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.58
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 2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde?
The IUPAC name of 2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde (CID 118590895) is 2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde is O=CCc1ccccc1C1(O)CCCCC1.
What is the InChIKey of 2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde?
The InChIKey is WDAZYWKFXBAJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c15-11-8-12-6-2-3-7-13(12)14(16)9-4-1-5-10-14/h2-3,6-7,11,16H,1,4-5,8-10H2.
What are the key properties of 2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde?
2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde has a molecular weight of 218.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxycyclohexyl)phenyl]acetaldehyde is sourced from PubChem (CID 118590895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).