2-hydroxy-2-(2-methylphenyl)acetaldehyde

C9H10O2 — CID 22607874

IUPAC2-hydroxy-2-(2-methylphenyl)acetaldehyde
SMILESCc1ccccc1C(O)C=O
InChIInChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-6,9,11H,1H3
InChIKeyCQETXUXIAMCNFM-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.23
Rot. Bonds2

About 2-hydroxy-2-(2-methylphenyl)acetaldehyde

2-hydroxy-2-(2-methylphenyl)acetaldehyde (PubChem CID 22607874) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-hydroxy-2-(2-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-hydroxy-2-(2-methylphenyl)acetaldehyde
PubChem CID22607874
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-hydroxy-2-(2-methylphenyl)acetaldehyde
SMILESCc1ccccc1C(O)C=O
InChIInChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-6,9,11H,1H3
InChIKeyCQETXUXIAMCNFM-UHFFFAOYSA-N
XLogP1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(2-methylphenyl)prop-2-en-1-ol
CID 102103795
2-(2-methylphenyl)-2-sulfanylacetaldehyde
CID 173459115
acetic acid;(2-methylphenyl)methanediol
CID 71361235
3,3,3-trifluoro-2-(2-methylphenyl)propanal
CID 84776669
2-(2-methylphenyl)-2-phenylacetaldehyde
CID 76507098
ethyl 2-(2-methylphenyl)-3-oxopropanoate
CID 13330266
bis[hydroxy-(2-methylphenyl)methyl]phosphinic acid
CID 73235896
[hydroxy-(2-methylphenyl)methyl]phosphonic acid
CID 130670017
formic acid;1,2-xylene
CID 175948526
2-hydroxy-3-(2-methylphenyl)-3-phenylpropanoic acid
CID 79472078
4,4-dimethyl-2-(2-methylphenyl)pentanal
CID 87081066
1-methyl-2-[2-methyl-1-(2-methylphenyl)propyl]benzene
CID 14267704

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-methylphenyl)acetaldehyde?
The IUPAC name of 2-hydroxy-2-(2-methylphenyl)acetaldehyde (CID 22607874) is 2-hydroxy-2-(2-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-hydroxy-2-(2-methylphenyl)acetaldehyde?
The canonical SMILES for 2-hydroxy-2-(2-methylphenyl)acetaldehyde is Cc1ccccc1C(O)C=O.
What is the InChIKey of 2-hydroxy-2-(2-methylphenyl)acetaldehyde?
The InChIKey is CQETXUXIAMCNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-6,9,11H,1H3.
What are the key properties of 2-hydroxy-2-(2-methylphenyl)acetaldehyde?
2-hydroxy-2-(2-methylphenyl)acetaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-methylphenyl)acetaldehyde is sourced from PubChem (CID 22607874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).