3-ethyl-4-hydroxy-2-methylbenzaldehyde

C10H12O2 — CID 88956319

IUPAC3-ethyl-4-hydroxy-2-methylbenzaldehyde
SMILESCCc1c(O)ccc(C=O)c1C
InChIInChI=1S/C10H12O2/c1-3-9-7(2)8(6-11)4-5-10(9)12/h4-6,12H,3H2,1-2H3
InChIKeyADHMGJASDHFWAQ-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.08
Rot. Bonds2

About 3-ethyl-4-hydroxy-2-methylbenzaldehyde

3-ethyl-4-hydroxy-2-methylbenzaldehyde (PubChem CID 88956319) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-ethyl-4-hydroxy-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-ethyl-4-hydroxy-2-methylbenzaldehyde
PubChem CID88956319
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-ethyl-4-hydroxy-2-methylbenzaldehyde
SMILESCCc1c(O)ccc(C=O)c1C
InChIInChI=1S/C10H12O2/c1-3-9-7(2)8(6-11)4-5-10(9)12/h4-6,12H,3H2,1-2H3
InChIKeyADHMGJASDHFWAQ-UHFFFAOYSA-N
XLogP2.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 52.08
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

2,3-diethyl-4-hydroxybenzaldehyde
CID 88956337
2-decyl-3-hydroxybenzaldehyde
CID 141168439
2-hydroxybenzaldehyde;methanamine
CID 174602056
4-amino-3-(2-hydroxyethyl)-2-methylbenzaldehyde
CID 141157639
4-hydroxy-2,3-dimethylbenzaldehyde;4-hydroxy-2,5-dimethylbenzaldehyde
CID 160578055
2,4-dihydroxy-3-(4-oxobutyl)benzaldehyde
CID 87902577
3-hydroxy-2-methylbenzaldehyde;phenol
CID 87138330
4-ethoxy-2-ethyl-3-methylphenol
CID 162375114
5-[5-(2-ethyl-4-formyl-3-methylphenyl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 141257926
2-ethyl-5-methylbenzene-1,3-dicarbaldehyde
CID 14045532
2-ethyl-4-methylbenzene-1,3-diol
CID 66591823
2-(3-ethyl-2,4-dihydroxyphenyl)acetaldehyde
CID 87795646

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-hydroxy-2-methylbenzaldehyde?
The IUPAC name of 3-ethyl-4-hydroxy-2-methylbenzaldehyde (CID 88956319) is 3-ethyl-4-hydroxy-2-methylbenzaldehyde.
What is the SMILES notation for 3-ethyl-4-hydroxy-2-methylbenzaldehyde?
The canonical SMILES for 3-ethyl-4-hydroxy-2-methylbenzaldehyde is CCc1c(O)ccc(C=O)c1C.
What is the InChIKey of 3-ethyl-4-hydroxy-2-methylbenzaldehyde?
The InChIKey is ADHMGJASDHFWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-9-7(2)8(6-11)4-5-10(9)12/h4-6,12H,3H2,1-2H3.
What are the key properties of 3-ethyl-4-hydroxy-2-methylbenzaldehyde?
3-ethyl-4-hydroxy-2-methylbenzaldehyde has a molecular weight of 164.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-hydroxy-2-methylbenzaldehyde is sourced from PubChem (CID 88956319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).