2-(3-hydroxy-2-methylphenoxy)acetaldehyde

C9H10O3 — CID 86739690

IUPAC2-(3-hydroxy-2-methylphenoxy)acetaldehyde
SMILESCc1c(O)cccc1OCC=O
InChIInChI=1S/C9H10O3/c1-7-8(11)3-2-4-9(7)12-6-5-10/h2-5,11H,6H2,1H3
InChIKeyJYFJNWAJEJSWJW-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.28
Rot. Bonds3

About 2-(3-hydroxy-2-methylphenoxy)acetaldehyde

2-(3-hydroxy-2-methylphenoxy)acetaldehyde (PubChem CID 86739690) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylphenoxy)acetaldehyde.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylphenoxy)acetaldehyde
PubChem CID86739690
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2-(3-hydroxy-2-methylphenoxy)acetaldehyde
SMILESCc1c(O)cccc1OCC=O
InChIInChI=1S/C9H10O3/c1-7-8(11)3-2-4-9(7)12-6-5-10/h2-5,11H,6H2,1H3
InChIKeyJYFJNWAJEJSWJW-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxy-2-methylphenoxy)acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hydroxy-2-methylphenyl) formate
CID 153313230
3-(2-aminoethoxy)-2-methylphenol
CID 83620006
3-(2-chloroprop-2-enoxy)-2-methylphenol
CID 43143314
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylphenol
CID 104564323
2-methyl-3-(3-phenoxypropoxy)phenol
CID 62936106
2-methyl-3-(phenylmethoxymethoxy)phenol
CID 102939968
2-(2-oxoethoxy)benzamide
CID 21273663
ethane;2-[2-(methylamino)phenoxy]acetaldehyde
CID 142381629
2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid
CID 110837162
2-methyl-3-(3-phenylprop-2-ynoxy)phenol
CID 62339193
2-methylbenzene-1,3-diol
CID 139200813
3-[(4-fluoro-2-methylphenyl)methoxy]-2-methylphenol
CID 114346383

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylphenoxy)acetaldehyde?
The IUPAC name of 2-(3-hydroxy-2-methylphenoxy)acetaldehyde (CID 86739690) is 2-(3-hydroxy-2-methylphenoxy)acetaldehyde.
What is the SMILES notation for 2-(3-hydroxy-2-methylphenoxy)acetaldehyde?
The canonical SMILES for 2-(3-hydroxy-2-methylphenoxy)acetaldehyde is Cc1c(O)cccc1OCC=O.
What is the InChIKey of 2-(3-hydroxy-2-methylphenoxy)acetaldehyde?
The InChIKey is JYFJNWAJEJSWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-7-8(11)3-2-4-9(7)12-6-5-10/h2-5,11H,6H2,1H3.
What are the key properties of 2-(3-hydroxy-2-methylphenoxy)acetaldehyde?
2-(3-hydroxy-2-methylphenoxy)acetaldehyde has a molecular weight of 166.18 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylphenoxy)acetaldehyde is sourced from PubChem (CID 86739690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).