2-(3-ethyl-5-methoxyphenyl)propanal

C12H16O2 — CID 134639392

IUPAC2-(3-ethyl-5-methoxyphenyl)propanal
SMILESCCc1cc(OC)cc(C(C)C=O)c1
InChIInChI=1S/C12H16O2/c1-4-10-5-11(9(2)8-13)7-12(6-10)14-3/h5-9H,4H2,1-3H3
InChIKeyUNFVNQYKVWOJCL-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.56
Rot. Bonds4

About 2-(3-ethyl-5-methoxyphenyl)propanal

2-(3-ethyl-5-methoxyphenyl)propanal (PubChem CID 134639392) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-(3-ethyl-5-methoxyphenyl)propanal.

Molecular Properties

Compound Name2-(3-ethyl-5-methoxyphenyl)propanal
PubChem CID134639392
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-(3-ethyl-5-methoxyphenyl)propanal
SMILESCCc1cc(OC)cc(C(C)C=O)c1
InChIInChI=1S/C12H16O2/c1-4-10-5-11(9(2)8-13)7-12(6-10)14-3/h5-9H,4H2,1-3H3
InChIKeyUNFVNQYKVWOJCL-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethyl-5-methylphenyl)propanal
CID 134640033
2-(3-bromo-5-ethylphenyl)propanal
CID 134639873
2-[3-(bromomethyl)-5-ethylphenyl]propanal
CID 134639779
1-ethyl-3-methoxy-5-(2-methylpropyl)benzene
CID 155459307
(2S)-2-(4-methoxyphenyl)propanal
CID 11137473
1-ethyl-3-methoxy-5-propoxybenzene
CID 143260185
1-tert-butyl-3-ethyl-5-methoxybenzene
CID 154541543
1-(3-methoxy-5-propan-2-ylphenyl)propan-2-amine
CID 117296829
2-(3-methoxy-5-propan-2-ylphenyl)ethanol
CID 71373713
2-hydroxy-2-[3-methoxy-5-(3-oxopropyl)phenyl]acetic acid
CID 134657621
2-(4-ethoxy-3-methoxyphenyl)propanal
CID 134639564
2-(3-propylphenyl)propanal
CID 105436614

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-5-methoxyphenyl)propanal?
The IUPAC name of 2-(3-ethyl-5-methoxyphenyl)propanal (CID 134639392) is 2-(3-ethyl-5-methoxyphenyl)propanal.
What is the SMILES notation for 2-(3-ethyl-5-methoxyphenyl)propanal?
The canonical SMILES for 2-(3-ethyl-5-methoxyphenyl)propanal is CCc1cc(OC)cc(C(C)C=O)c1.
What is the InChIKey of 2-(3-ethyl-5-methoxyphenyl)propanal?
The InChIKey is UNFVNQYKVWOJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-10-5-11(9(2)8-13)7-12(6-10)14-3/h5-9H,4H2,1-3H3.
What are the key properties of 2-(3-ethyl-5-methoxyphenyl)propanal?
2-(3-ethyl-5-methoxyphenyl)propanal has a molecular weight of 192.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-5-methoxyphenyl)propanal is sourced from PubChem (CID 134639392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).