2-(2-hydroxy-5-methylphenyl)acetaldehyde

C9H10O2 — CID 23471205

IUPAC2-(2-hydroxy-5-methylphenyl)acetaldehyde
SMILESCc1ccc(O)c(CC=O)c1
InChIInChI=1S/C9H10O2/c1-7-2-3-9(11)8(6-7)4-5-10/h2-3,5-6,11H,4H2,1H3
InChIKeyUAXWTWXMRWFHQE-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.44
Rot. Bonds2

About 2-(2-hydroxy-5-methylphenyl)acetaldehyde

2-(2-hydroxy-5-methylphenyl)acetaldehyde (PubChem CID 23471205) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylphenyl)acetaldehyde.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylphenyl)acetaldehyde
PubChem CID23471205
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-(2-hydroxy-5-methylphenyl)acetaldehyde
SMILESCc1ccc(O)c(CC=O)c1
InChIInChI=1S/C9H10O2/c1-7-2-3-9(11)8(6-7)4-5-10/h2-3,5-6,11H,4H2,1H3
InChIKeyUAXWTWXMRWFHQE-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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

2-(2-ethyl-4-methylphenyl)acetaldehyde
CID 88578467
2-(2-ethyl-5-methylphenyl)acetaldehyde;hydrofluoride
CID 167684728
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
(E)-5-(2-hydroxy-5-methylphenyl)pent-3-en-2-one
CID 139494540
2-(5-fluoro-2-hydroxyphenyl)acetaldehyde
CID 87254004
2-[2,5-dihydroxy-4-(2-oxoethyl)phenyl]acetaldehyde
CID 166062863
2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde
CID 87795646
2-[4-hydroxy-3-(2-oxoethyl)phenyl]acetic acid
CID 19857297
2-[2-(2-hydroxyphenyl)ethyl]-4-methylphenol
CID 154267038
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
CID 153466850
2-(2-hydroxy-5-methylphenyl)ethanimidamide
CID 83676586
2-(diazenylmethyl)-4-methylphenol
CID 123647682

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylphenyl)acetaldehyde?
The IUPAC name of 2-(2-hydroxy-5-methylphenyl)acetaldehyde (CID 23471205) is 2-(2-hydroxy-5-methylphenyl)acetaldehyde.
What is the SMILES notation for 2-(2-hydroxy-5-methylphenyl)acetaldehyde?
The canonical SMILES for 2-(2-hydroxy-5-methylphenyl)acetaldehyde is Cc1ccc(O)c(CC=O)c1.
What is the InChIKey of 2-(2-hydroxy-5-methylphenyl)acetaldehyde?
The InChIKey is UAXWTWXMRWFHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7-2-3-9(11)8(6-7)4-5-10/h2-3,5-6,11H,4H2,1H3.
What are the key properties of 2-(2-hydroxy-5-methylphenyl)acetaldehyde?
2-(2-hydroxy-5-methylphenyl)acetaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylphenyl)acetaldehyde is sourced from PubChem (CID 23471205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).