2-(2,4-dimethylphenyl)-2-hydroxypropanal

C11H14O2 — CID 66040527

IUPAC2-(2,4-dimethylphenyl)-2-hydroxypropanal
SMILESCc1ccc(C(C)(O)C=O)c(C)c1
InChIInChI=1S/C11H14O2/c1-8-4-5-10(9(2)6-8)11(3,13)7-12/h4-7,13H,1-3H3
InChIKeyNHNBNZAOOIRXME-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.71
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-2-hydroxypropanal

2-(2,4-dimethylphenyl)-2-hydroxypropanal (PubChem CID 66040527) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-hydroxypropanal.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-hydroxypropanal
PubChem CID66040527
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(2,4-dimethylphenyl)-2-hydroxypropanal
SMILESCc1ccc(C(C)(O)C=O)c(C)c1
InChIInChI=1S/C11H14O2/c1-8-4-5-10(9(2)6-8)11(3,13)7-12/h4-7,13H,1-3H3
InChIKeyNHNBNZAOOIRXME-UHFFFAOYSA-N
XLogP1.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.71
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-(2,4-dimethylphenyl)-2-hydroxypropanal?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-hydroxypropanal (CID 66040527) is 2-(2,4-dimethylphenyl)-2-hydroxypropanal.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-hydroxypropanal?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-hydroxypropanal is Cc1ccc(C(C)(O)C=O)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-hydroxypropanal?
The InChIKey is NHNBNZAOOIRXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-4-5-10(9(2)6-8)11(3,13)7-12/h4-7,13H,1-3H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-hydroxypropanal?
2-(2,4-dimethylphenyl)-2-hydroxypropanal has a molecular weight of 178.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-hydroxypropanal is sourced from PubChem (CID 66040527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).