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

C15H14O2 — CID 59582482

IUPAC3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2c(C=O)ccc(C)c2O)cc1
InChIInChI=1S/C15H14O2/c1-10-3-6-12(7-4-10)14-13(9-16)8-5-11(2)15(14)17/h3-9,17H,1-2H3
InChIKeyUGJFXXBUYADLGB-UHFFFAOYSA-N
MW226.27 g/mol
LogP3.49
Rot. Bonds2

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

3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde (PubChem CID 59582482) has the molecular formula C15H14O2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde.

Molecular Properties

Compound Name3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde
PubChem CID59582482
Molecular FormulaC15H14O2
Molecular Weight226.27 g/mol
Exact Mass226.10
IUPAC Name3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde
SMILESCc1ccc(-c2c(C=O)ccc(C)c2O)cc1
InChIInChI=1S/C15H14O2/c1-10-3-6-12(7-4-10)14-13(9-16)8-5-11(2)15(14)17/h3-9,17H,1-2H3
InChIKeyUGJFXXBUYADLGB-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.49
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-4-methyl-2-(4-methylphenyl)benzaldehyde?
The IUPAC name of 3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde (CID 59582482) is 3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde.
What is the SMILES notation for 3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde?
The canonical SMILES for 3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde is Cc1ccc(-c2c(C=O)ccc(C)c2O)cc1.
What is the InChIKey of 3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde?
The InChIKey is UGJFXXBUYADLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2/c1-10-3-6-12(7-4-10)14-13(9-16)8-5-11(2)15(14)17/h3-9,17H,1-2H3.
What are the key properties of 3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde?
3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde has a molecular weight of 226.27 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-2-(4-methylphenyl)benzaldehyde is sourced from PubChem (CID 59582482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).