2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde

C11H14O2 — CID 131744702

IUPAC2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde
SMILESCc1cc(C)c(C=O)c(CCO)c1
InChIInChI=1S/C11H14O2/c1-8-5-9(2)11(7-13)10(6-8)3-4-12/h5-7,12H,3-4H2,1-2H3
InChIKeyILZLINAKHRLZSK-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.65
Rot. Bonds3

About 2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde

2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde (PubChem CID 131744702) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde
PubChem CID131744702
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde
SMILESCc1cc(C)c(C=O)c(CCO)c1
InChIInChI=1S/C11H14O2/c1-8-5-9(2)11(7-13)10(6-8)3-4-12/h5-7,12H,3-4H2,1-2H3
InChIKeyILZLINAKHRLZSK-UHFFFAOYSA-N
XLogP1.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.65
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

3,5-dimethylphthalaldehyde
CID 23156924
2-amino-4,6-dimethylbenzaldehyde
CID 114553787
2,4,6-trihydroxybenzaldehyde;2,4,6-trimethylbenzaldehyde
CID 159352487
6-bromo-4-(2-hydroxyethyl)-2,3-dimethoxybenzaldehyde
CID 117466700
2-[2-tert-butyl-3-(2-hydroxyethyl)-5-methylphenyl]ethanol
CID 70965594
2,4,6-trimethyl-3-(2,4,6-trimethylphenyl)benzaldehyde
CID 14915375
methyl 3-(2-hydroxyethyl)-5-methyl-4-[(E)-3-oxoprop-1-enyl]benzoate
CID 154708031
2-hydroxy-3,5-dimethylbenzaldehyde
CID 4770245
2-(2-hydroxyethyl)-4-methylbenzenesulfonamide
CID 67168218
2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol
CID 79334687
2-methyl-6-(2-oxopropyl)benzaldehyde
CID 130792355
2-(2,4,6-trimethylphenyl)sulfonylethanol
CID 116852753

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde?
The IUPAC name of 2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde (CID 131744702) is 2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde.
What is the SMILES notation for 2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde?
The canonical SMILES for 2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde is Cc1cc(C)c(C=O)c(CCO)c1.
What is the InChIKey of 2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde?
The InChIKey is ILZLINAKHRLZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8-5-9(2)11(7-13)10(6-8)3-4-12/h5-7,12H,3-4H2,1-2H3.
What are the key properties of 2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde?
2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde has a molecular weight of 178.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-4,6-dimethylbenzaldehyde is sourced from PubChem (CID 131744702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).