3-ethyl-2-hydroxy-5-methylbenzaldehyde

C10H12O2 — CID 123167289

IUPAC3-ethyl-2-hydroxy-5-methylbenzaldehyde
SMILESCCc1cc(C)cc(C=O)c1O
InChIInChI=1S/C10H12O2/c1-3-8-4-7(2)5-9(6-11)10(8)12/h4-6,12H,3H2,1-2H3
InChIKeyCYYCWGHVUMCGNS-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.08
Rot. Bonds2

About 3-ethyl-2-hydroxy-5-methylbenzaldehyde

3-ethyl-2-hydroxy-5-methylbenzaldehyde (PubChem CID 123167289) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3-ethyl-2-hydroxy-5-methylbenzaldehyde.

Molecular Properties

Compound Name3-ethyl-2-hydroxy-5-methylbenzaldehyde
PubChem CID123167289
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3-ethyl-2-hydroxy-5-methylbenzaldehyde
SMILESCCc1cc(C)cc(C=O)c1O
InChIInChI=1S/C10H12O2/c1-3-8-4-7(2)5-9(6-11)10(8)12/h4-6,12H,3H2,1-2H3
InChIKeyCYYCWGHVUMCGNS-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

3-[[4,7-bis[(3-formyl-2-hydroxy-5-methylphenyl)methyl]-1,4,7-triazonan-1-yl]methyl]-2-hydroxy-5-methylbenzaldehyde
CID 170744084
2-hydroxy-3,5-dimethylbenzaldehyde
CID 4770245
2-ethyl-5-methylbenzene-1,3-dicarbaldehyde
CID 14045532
2-(1,2-13C2)ethyl-4,6-dimethylphenol
CID 102175536
CID 87540870
CID 87540870
2-hydroxy-3-(hydroxyiminomethyl)-5-methylbenzaldehyde
CID 137203329
2-ethyl-6-[(1-hydroxy-3,3-dimethylbutan-2-yl)iminomethyl]-4-methylphenol
CID 137060299
2-ethyl-4-methyl-6-propylphenol
CID 66879780
2-ethyl-4-methylbenzaldehyde
CID 58929233
2-[1-(3-formyl-2-hydroxy-5-methylphenyl)propan-2-ylamino]guanidine
CID 166828178
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
2-ethyl-6-[1-(3-ethyl-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 10040352

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-hydroxy-5-methylbenzaldehyde?
The IUPAC name of 3-ethyl-2-hydroxy-5-methylbenzaldehyde (CID 123167289) is 3-ethyl-2-hydroxy-5-methylbenzaldehyde.
What is the SMILES notation for 3-ethyl-2-hydroxy-5-methylbenzaldehyde?
The canonical SMILES for 3-ethyl-2-hydroxy-5-methylbenzaldehyde is CCc1cc(C)cc(C=O)c1O.
What is the InChIKey of 3-ethyl-2-hydroxy-5-methylbenzaldehyde?
The InChIKey is CYYCWGHVUMCGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-3-8-4-7(2)5-9(6-11)10(8)12/h4-6,12H,3H2,1-2H3.
What are the key properties of 3-ethyl-2-hydroxy-5-methylbenzaldehyde?
3-ethyl-2-hydroxy-5-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-2-hydroxy-5-methylbenzaldehyde is sourced from PubChem (CID 123167289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).