2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene

C12H16O — CID 70232732

IUPAC2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC)cc1CC
InChIInChI=1S/C12H16O/c1-5-10-8-11(13-4)6-7-12(10)9(2)3/h6-8H,2,5H2,1,3-4H3
InChIKeyJFEKHLWUKRZZLR-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.29
Rot. Bonds3

About 2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene

2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene (PubChem CID 70232732) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
PubChem CID70232732
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(OC)cc1CC
InChIInChI=1S/C12H16O/c1-5-10-8-11(13-4)6-7-12(10)9(2)3/h6-8H,2,5H2,1,3-4H3
InChIKeyJFEKHLWUKRZZLR-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-4-methoxy-2-prop-1-en-2-ylbenzene
CID 70233927
2-ethyl-4-methoxybenzoate
CID 23362607
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene;5-ethyl-5-(4-propan-2-yloxyphenyl)imidazolidine-2,4-dione
CID 143510343
2-[1-(2-ethyl-4-methoxyphenyl)propylidene]propanedioic acid
CID 69344543
1-(2-butyl-4-methoxyphenyl)ethanone
CID 67001427
(E)-3-(2-ethyl-4-methoxyphenyl)hex-2-enoic acid
CID 83959086
bis(2-ethyl-4-prop-1-en-2-ylphenyl)methanone
CID 54475373
methyl 2-(2-acetyl-5-methoxyphenyl)acetate
CID 10632802
[1-(4-methoxy-2-prop-1-en-2-ylphenyl)propylideneamino] methanesulfonate
CID 139841466
(2-ethyl-4-methoxyphenyl)-piperidin-3-ylmethanone
CID 82552052
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene?
The IUPAC name of 2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene (CID 70232732) is 2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene is C=C(C)c1ccc(OC)cc1CC.
What is the InChIKey of 2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene?
The InChIKey is JFEKHLWUKRZZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-5-10-8-11(13-4)6-7-12(10)9(2)3/h6-8H,2,5H2,1,3-4H3.
What are the key properties of 2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene?
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene has a molecular weight of 176.26 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene is sourced from PubChem (CID 70232732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).