1-hex-5-en-3-yl-2-methoxybenzene

C13H18O — CID 83929060

IUPAC1-hex-5-en-3-yl-2-methoxybenzene
SMILESC=CCC(CC)c1ccccc1OC
InChIInChI=1S/C13H18O/c1-4-8-11(5-2)12-9-6-7-10-13(12)14-3/h4,6-7,9-11H,1,5,8H2,2-3H3
InChIKeyLAJAOUILGSAIOA-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.76
Rot. Bonds5

About 1-hex-5-en-3-yl-2-methoxybenzene

1-hex-5-en-3-yl-2-methoxybenzene (PubChem CID 83929060) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-hex-5-en-3-yl-2-methoxybenzene.

Molecular Properties

Compound Name1-hex-5-en-3-yl-2-methoxybenzene
PubChem CID83929060
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-hex-5-en-3-yl-2-methoxybenzene
SMILESC=CCC(CC)c1ccccc1OC
InChIInChI=1S/C13H18O/c1-4-8-11(5-2)12-9-6-7-10-13(12)14-3/h4,6-7,9-11H,1,5,8H2,2-3H3
InChIKeyLAJAOUILGSAIOA-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-hex-5-en-3-yl-2-methoxybenzene 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

(3R)-3-(2-methoxyphenyl)hex-5-enoic acid
CID 10822802
2-ethoxy-6-hex-5-en-3-ylphenol
CID 83930785
(3R)-3-(2-methoxyphenyl)-N-methylhex-5-enamide
CID 10537602
1-(1-cyclopenta-1,4-dien-1-ylbut-3-enyl)-2-methoxybenzene
CID 102102703
(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
(1R)-1-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]but-3-en-1-amine
CID 10802793
ethane;1-hex-5-en-3-yl-4-methoxybenzene
CID 142172169
2-(2-methoxyphenyl)butyl methanesulfonate
CID 121339648
1-methoxy-2-[(E)-oct-6-en-4-yl]benzene
CID 142273894
1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene
CID 83933692
1-(2-methoxyphenyl)pent-4-en-1-amine
CID 15884723
(1S)-1-(2-ethoxyphenyl)but-3-en-1-amine
CID 171221750

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-en-3-yl-2-methoxybenzene?
The IUPAC name of 1-hex-5-en-3-yl-2-methoxybenzene (CID 83929060) is 1-hex-5-en-3-yl-2-methoxybenzene.
What is the SMILES notation for 1-hex-5-en-3-yl-2-methoxybenzene?
The canonical SMILES for 1-hex-5-en-3-yl-2-methoxybenzene is C=CCC(CC)c1ccccc1OC.
What is the InChIKey of 1-hex-5-en-3-yl-2-methoxybenzene?
The InChIKey is LAJAOUILGSAIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-8-11(5-2)12-9-6-7-10-13(12)14-3/h4,6-7,9-11H,1,5,8H2,2-3H3.
What are the key properties of 1-hex-5-en-3-yl-2-methoxybenzene?
1-hex-5-en-3-yl-2-methoxybenzene has a molecular weight of 190.29 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-en-3-yl-2-methoxybenzene is sourced from PubChem (CID 83929060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).