3-hydroxy-2-(4-methylphenyl)benzaldehyde

C14H12O2 — CID 22125800

IUPAC3-hydroxy-2-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2c(O)cccc2C=O)cc1
InChIInChI=1S/C14H12O2/c1-10-5-7-11(8-6-10)14-12(9-15)3-2-4-13(14)16/h2-9,16H,1H3
InChIKeyDNFLREGWEQQHTI-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.18
Rot. Bonds2

About 3-hydroxy-2-(4-methylphenyl)benzaldehyde

3-hydroxy-2-(4-methylphenyl)benzaldehyde (PubChem CID 22125800) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-hydroxy-2-(4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name3-hydroxy-2-(4-methylphenyl)benzaldehyde
PubChem CID22125800
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name3-hydroxy-2-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2c(O)cccc2C=O)cc1
InChIInChI=1S/C14H12O2/c1-10-5-7-11(8-6-10)14-12(9-15)3-2-4-13(14)16/h2-9,16H,1H3
InChIKeyDNFLREGWEQQHTI-UHFFFAOYSA-N
XLogP3.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.18
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-hydroxy-2-(4-methylphenyl)benzaldehyde?
The IUPAC name of 3-hydroxy-2-(4-methylphenyl)benzaldehyde (CID 22125800) is 3-hydroxy-2-(4-methylphenyl)benzaldehyde.
What is the SMILES notation for 3-hydroxy-2-(4-methylphenyl)benzaldehyde?
The canonical SMILES for 3-hydroxy-2-(4-methylphenyl)benzaldehyde is Cc1ccc(-c2c(O)cccc2C=O)cc1.
What is the InChIKey of 3-hydroxy-2-(4-methylphenyl)benzaldehyde?
The InChIKey is DNFLREGWEQQHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-10-5-7-11(8-6-10)14-12(9-15)3-2-4-13(14)16/h2-9,16H,1H3.
What are the key properties of 3-hydroxy-2-(4-methylphenyl)benzaldehyde?
3-hydroxy-2-(4-methylphenyl)benzaldehyde has a molecular weight of 212.25 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(4-methylphenyl)benzaldehyde is sourced from PubChem (CID 22125800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).