4-[2-(hydroxymethyl)phenyl]benzaldehyde

C14H12O2 — CID 1393999

IUPAC4-[2-(hydroxymethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2CO)cc1
InChIInChI=1S/C14H12O2/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-9,16H,10H2
InChIKeyUBQIRFAQMBAOQO-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.66
Rot. Bonds3

About 4-[2-(hydroxymethyl)phenyl]benzaldehyde

4-[2-(hydroxymethyl)phenyl]benzaldehyde (PubChem CID 1393999) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)phenyl]benzaldehyde
PubChem CID1393999
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name4-[2-(hydroxymethyl)phenyl]benzaldehyde
SMILESO=Cc1ccc(-c2ccccc2CO)cc1
InChIInChI=1S/C14H12O2/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-9,16H,10H2
InChIKeyUBQIRFAQMBAOQO-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.66
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-[2-(hydroxymethyl)phenyl]benzaldehyde?
The IUPAC name of 4-[2-(hydroxymethyl)phenyl]benzaldehyde (CID 1393999) is 4-[2-(hydroxymethyl)phenyl]benzaldehyde.
What is the SMILES notation for 4-[2-(hydroxymethyl)phenyl]benzaldehyde?
The canonical SMILES for 4-[2-(hydroxymethyl)phenyl]benzaldehyde is O=Cc1ccc(-c2ccccc2CO)cc1.
What is the InChIKey of 4-[2-(hydroxymethyl)phenyl]benzaldehyde?
The InChIKey is UBQIRFAQMBAOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-9-11-5-7-12(8-6-11)14-4-2-1-3-13(14)10-16/h1-9,16H,10H2.
What are the key properties of 4-[2-(hydroxymethyl)phenyl]benzaldehyde?
4-[2-(hydroxymethyl)phenyl]benzaldehyde has a molecular weight of 212.25 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)phenyl]benzaldehyde is sourced from PubChem (CID 1393999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).