3-methoxyhex-4-enylbenzene

C13H18O — CID 71364959

IUPAC3-methoxyhex-4-enylbenzene
SMILESCC=CC(CCc1ccccc1)OC
InChIInChI=1S/C13H18O/c1-3-7-13(14-2)11-10-12-8-5-4-6-9-12/h3-9,13H,10-11H2,1-2H3
InChIKeyUXMIYVGQZRRKMD-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.21
Rot. Bonds5

About 3-methoxyhex-4-enylbenzene

3-methoxyhex-4-enylbenzene (PubChem CID 71364959) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-methoxyhex-4-enylbenzene.

Molecular Properties

Compound Name3-methoxyhex-4-enylbenzene
PubChem CID71364959
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3-methoxyhex-4-enylbenzene
SMILESCC=CC(CCc1ccccc1)OC
InChIInChI=1S/C13H18O/c1-3-7-13(14-2)11-10-12-8-5-4-6-9-12/h3-9,13H,10-11H2,1-2H3
InChIKeyUXMIYVGQZRRKMD-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methoxyhex-4-enylbenzene 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

[(Z)-1-phenylhex-4-en-3-yl]oxymethylbenzene
CID 23649924
[(Z)-3-methoxy-6-prop-2-enoxyhex-4-enyl]benzene
CID 102383332
1-[(E)-1-phenylhex-4-en-3-yl]oxyethyl acetate
CID 11832226
(Z,3R)-1-phenylhex-4-en-3-ol
CID 129363881
3-phenylmethoxyhex-4-en-1-ol
CID 71334809
[(2E,5E)-hepta-2,5-dien-4-yl]oxy-(5-phenylpent-1-en-3-yloxy)-di(propan-2-yl)silane
CID 135079832
1,1-dimethoxy-4-phenylbutan-2-amine
CID 68520793
[3-methyl-5-(3-methyl-5-phenylpent-1-enoxy)pent-4-enyl]benzene
CID 67234615
[(Z)-5,5-dimethoxypent-3-enyl]benzene
CID 102219154
(3-methoxy-4,4-dimethylhex-5-enyl)benzene
CID 13449105
[(E)-1-phenylmethoxybut-2-enoxy]methylbenzene
CID 14220581
[(E)-3-(2-phenylethyl)hex-4-en-1-ynyl]-tri(propan-2-yl)silane
CID 102346323

Frequently Asked Questions

What is the IUPAC name of 3-methoxyhex-4-enylbenzene?
The IUPAC name of 3-methoxyhex-4-enylbenzene (CID 71364959) is 3-methoxyhex-4-enylbenzene.
What is the SMILES notation for 3-methoxyhex-4-enylbenzene?
The canonical SMILES for 3-methoxyhex-4-enylbenzene is CC=CC(CCc1ccccc1)OC.
What is the InChIKey of 3-methoxyhex-4-enylbenzene?
The InChIKey is UXMIYVGQZRRKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-3-7-13(14-2)11-10-12-8-5-4-6-9-12/h3-9,13H,10-11H2,1-2H3.
What are the key properties of 3-methoxyhex-4-enylbenzene?
3-methoxyhex-4-enylbenzene has a molecular weight of 190.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyhex-4-enylbenzene is sourced from PubChem (CID 71364959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).