4-[hydroxy(phenyl)methyl]benzaldehyde

C14H12O2 — CID 11806006

IUPAC4-[hydroxy(phenyl)methyl]benzaldehyde
SMILESO=Cc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C14H12O2/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-10,14,16H
InChIKeyPWNYKEHHGRPALE-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.58
Rot. Bonds3

About 4-[hydroxy(phenyl)methyl]benzaldehyde

4-[hydroxy(phenyl)methyl]benzaldehyde (PubChem CID 11806006) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-[hydroxy(phenyl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[hydroxy(phenyl)methyl]benzaldehyde
PubChem CID11806006
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name4-[hydroxy(phenyl)methyl]benzaldehyde
SMILESO=Cc1ccc(C(O)c2ccccc2)cc1
InChIInChI=1S/C14H12O2/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-10,14,16H
InChIKeyPWNYKEHHGRPALE-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 ≤ 500212.25
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 4-[hydroxy(phenyl)methyl]benzaldehyde?
The IUPAC name of 4-[hydroxy(phenyl)methyl]benzaldehyde (CID 11806006) is 4-[hydroxy(phenyl)methyl]benzaldehyde.
What is the SMILES notation for 4-[hydroxy(phenyl)methyl]benzaldehyde?
The canonical SMILES for 4-[hydroxy(phenyl)methyl]benzaldehyde is O=Cc1ccc(C(O)c2ccccc2)cc1.
What is the InChIKey of 4-[hydroxy(phenyl)methyl]benzaldehyde?
The InChIKey is PWNYKEHHGRPALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-10,14,16H.
What are the key properties of 4-[hydroxy(phenyl)methyl]benzaldehyde?
4-[hydroxy(phenyl)methyl]benzaldehyde has a molecular weight of 212.25 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 4-[hydroxy(phenyl)methyl]benzaldehyde is sourced from PubChem (CID 11806006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).