2-(4-ethoxy-3-methoxyphenyl)propanal

C12H16O3 — CID 134639564

IUPAC2-(4-ethoxy-3-methoxyphenyl)propanal
SMILESCCOc1ccc(C(C)C=O)cc1OC
InChIInChI=1S/C12H16O3/c1-4-15-11-6-5-10(9(2)8-13)7-12(11)14-3/h5-9H,4H2,1-3H3
InChIKeyOSMUIZUCFHKWLV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.40
Rot. Bonds5

About 2-(4-ethoxy-3-methoxyphenyl)propanal

2-(4-ethoxy-3-methoxyphenyl)propanal (PubChem CID 134639564) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methoxyphenyl)propanal.

Molecular Properties

Compound Name2-(4-ethoxy-3-methoxyphenyl)propanal
PubChem CID134639564
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-(4-ethoxy-3-methoxyphenyl)propanal
SMILESCCOc1ccc(C(C)C=O)cc1OC
InChIInChI=1S/C12H16O3/c1-4-15-11-6-5-10(9(2)8-13)7-12(11)14-3/h5-9H,4H2,1-3H3
InChIKeyOSMUIZUCFHKWLV-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.40
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-[5-(difluoromethyl)-2-ethoxyphenyl]propanal
CID 134639427
2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
(1R)-1-(4-ethoxy-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 171212219
3-(4-ethoxy-3-methoxyphenyl)butane-1-thiol
CID 83938307
1-ethoxy-4-hex-4-yn-2-yl-2-methoxybenzene
CID 83938363
5-(4-ethoxy-3-methoxyphenyl)hexan-2-one
CID 83938305
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
2-amino-2-(4-ethoxy-3-methoxyphenyl)ethanol
CID 77128086
(1R)-1-(4-ethoxy-3-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171250432
(1R)-1-(4-ethoxy-3-methoxyphenyl)propane-1,3-diamine
CID 171212212
3-(4-ethoxy-3-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170825209
6-(4-ethoxy-3-methoxyphenyl)heptan-3-amine
CID 83938317

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)propanal?
The IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)propanal (CID 134639564) is 2-(4-ethoxy-3-methoxyphenyl)propanal.
What is the SMILES notation for 2-(4-ethoxy-3-methoxyphenyl)propanal?
The canonical SMILES for 2-(4-ethoxy-3-methoxyphenyl)propanal is CCOc1ccc(C(C)C=O)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3-methoxyphenyl)propanal?
The InChIKey is OSMUIZUCFHKWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-15-11-6-5-10(9(2)8-13)7-12(11)14-3/h5-9H,4H2,1-3H3.
What are the key properties of 2-(4-ethoxy-3-methoxyphenyl)propanal?
2-(4-ethoxy-3-methoxyphenyl)propanal has a molecular weight of 208.26 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methoxyphenyl)propanal is sourced from PubChem (CID 134639564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).