2-ethoxy-2-(3-methoxyphenyl)acetaldehyde

C11H14O3 — CID 129199810

IUPAC2-ethoxy-2-(3-methoxyphenyl)acetaldehyde
SMILESCCOC(C=O)c1cccc(OC)c1
InChIInChI=1S/C11H14O3/c1-3-14-11(8-12)9-5-4-6-10(7-9)13-2/h4-8,11H,3H2,1-2H3
InChIKeyYAURQCALCDWPDG-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.97
Rot. Bonds5

About 2-ethoxy-2-(3-methoxyphenyl)acetaldehyde

2-ethoxy-2-(3-methoxyphenyl)acetaldehyde (PubChem CID 129199810) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-ethoxy-2-(3-methoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2-ethoxy-2-(3-methoxyphenyl)acetaldehyde
PubChem CID129199810
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-ethoxy-2-(3-methoxyphenyl)acetaldehyde
SMILESCCOC(C=O)c1cccc(OC)c1
InChIInChI=1S/C11H14O3/c1-3-14-11(8-12)9-5-4-6-10(7-9)13-2/h4-8,11H,3H2,1-2H3
InChIKeyYAURQCALCDWPDG-UHFFFAOYSA-N
XLogP1.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(hydroxymethyl)phenoxy]-2-(3-methoxyphenyl)acetaldehyde
CID 87407074
2,2-diethoxy-1-(3-methoxyphenyl)ethanamine
CID 79495192
(3S)-3-(3-methoxyphenyl)pentanal
CID 118647969
2-azido-2-(3-methoxyphenyl)acetaldehyde
CID 91467905
2-(3-methoxyphenyl)-3-oxopropanenitrile
CID 10352196
1-(1,3-dichloropropan-2-yl)-3-methoxybenzene
CID 70178746
2-(3-methoxyphenyl)propyl formate
CID 91471144
3-(3-methoxyphenyl)-2-methylpent-4-enal
CID 174715071
2-ethoxy-1-(3-methoxyphenyl)-N-methylbutan-1-amine
CID 116716598
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
2-methoxy-2-(3-phenylmethoxyphenyl)acetaldehyde
CID 87552555
2-(3-methoxyphenyl)-4-oxobutanenitrile
CID 14107117

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-(3-methoxyphenyl)acetaldehyde?
The IUPAC name of 2-ethoxy-2-(3-methoxyphenyl)acetaldehyde (CID 129199810) is 2-ethoxy-2-(3-methoxyphenyl)acetaldehyde.
What is the SMILES notation for 2-ethoxy-2-(3-methoxyphenyl)acetaldehyde?
The canonical SMILES for 2-ethoxy-2-(3-methoxyphenyl)acetaldehyde is CCOC(C=O)c1cccc(OC)c1.
What is the InChIKey of 2-ethoxy-2-(3-methoxyphenyl)acetaldehyde?
The InChIKey is YAURQCALCDWPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-14-11(8-12)9-5-4-6-10(7-9)13-2/h4-8,11H,3H2,1-2H3.
What are the key properties of 2-ethoxy-2-(3-methoxyphenyl)acetaldehyde?
2-ethoxy-2-(3-methoxyphenyl)acetaldehyde has a molecular weight of 194.23 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(3-methoxyphenyl)acetaldehyde is sourced from PubChem (CID 129199810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).