5-ethyl-2-(2-hydroxyethoxy)benzaldehyde

C11H14O3 — CID 22039827

IUPAC5-ethyl-2-(2-hydroxyethoxy)benzaldehyde
SMILESCCc1ccc(OCCO)c(C=O)c1
InChIInChI=1S/C11H14O3/c1-2-9-3-4-11(14-6-5-12)10(7-9)8-13/h3-4,7-8,12H,2,5-6H2,1H3
InChIKeyLWNXVLUZJNNXIA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.43
Rot. Bonds5

About 5-ethyl-2-(2-hydroxyethoxy)benzaldehyde

5-ethyl-2-(2-hydroxyethoxy)benzaldehyde (PubChem CID 22039827) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 5-ethyl-2-(2-hydroxyethoxy)benzaldehyde.

Molecular Properties

Compound Name5-ethyl-2-(2-hydroxyethoxy)benzaldehyde
PubChem CID22039827
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name5-ethyl-2-(2-hydroxyethoxy)benzaldehyde
SMILESCCc1ccc(OCCO)c(C=O)c1
InChIInChI=1S/C11H14O3/c1-2-9-3-4-11(14-6-5-12)10(7-9)8-13/h3-4,7-8,12H,2,5-6H2,1H3
InChIKeyLWNXVLUZJNNXIA-UHFFFAOYSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethyl-2-methoxyphenoxy)ethanol
CID 67567470
2-(2,2-diethoxyethoxy)-5-ethylbenzaldehyde
CID 10849382
CID 87515829
CID 87515829
2-[(6-ethyl-2-pyridinyl)methoxy]-5-(hydroxymethyl)benzaldehyde
CID 122466227
2-[2-(2-tert-butyl-4-ethylphenoxy)ethoxy]benzaldehyde
CID 20988456
3-(4-ethoxy-3-formylphenyl)propanoic acid
CID 138986606
ethanol;1-ethoxy-4-ethyl-2-methoxybenzene;2-(2-methoxyphenoxy)ethanol
CID 145133787
6-ethyl-4-(2-hydroxyethoxy)naphthalene-2-carboxylic acid
CID 82372358
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
2-ethyl-5-(hydroxymethyl)benzaldehyde
CID 131311847
2-[4-(2-formyl-4-methylphenoxy)butoxy]-5-methylbenzaldehyde
CID 51358055
4-butoxybenzene-1,3-dicarbaldehyde
CID 155702679

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-(2-hydroxyethoxy)benzaldehyde?
The IUPAC name of 5-ethyl-2-(2-hydroxyethoxy)benzaldehyde (CID 22039827) is 5-ethyl-2-(2-hydroxyethoxy)benzaldehyde.
What is the SMILES notation for 5-ethyl-2-(2-hydroxyethoxy)benzaldehyde?
The canonical SMILES for 5-ethyl-2-(2-hydroxyethoxy)benzaldehyde is CCc1ccc(OCCO)c(C=O)c1.
What is the InChIKey of 5-ethyl-2-(2-hydroxyethoxy)benzaldehyde?
The InChIKey is LWNXVLUZJNNXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-9-3-4-11(14-6-5-12)10(7-9)8-13/h3-4,7-8,12H,2,5-6H2,1H3.
What are the key properties of 5-ethyl-2-(2-hydroxyethoxy)benzaldehyde?
5-ethyl-2-(2-hydroxyethoxy)benzaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-(2-hydroxyethoxy)benzaldehyde is sourced from PubChem (CID 22039827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).