1-but-3-enyl-2-ethyl-4-methoxybenzene

C13H18O — CID 83941580

IUPAC1-but-3-enyl-2-ethyl-4-methoxybenzene
SMILESC=CCCc1ccc(OC)cc1CC
InChIInChI=1S/C13H18O/c1-4-6-7-12-8-9-13(14-3)10-11(12)5-2/h4,8-10H,1,5-7H2,2-3H3
InChIKeyISUVPEZOUYLIHE-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.38
Rot. Bonds5

About 1-but-3-enyl-2-ethyl-4-methoxybenzene

1-but-3-enyl-2-ethyl-4-methoxybenzene (PubChem CID 83941580) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-but-3-enyl-2-ethyl-4-methoxybenzene.

Molecular Properties

Compound Name1-but-3-enyl-2-ethyl-4-methoxybenzene
PubChem CID83941580
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-but-3-enyl-2-ethyl-4-methoxybenzene
SMILESC=CCCc1ccc(OC)cc1CC
InChIInChI=1S/C13H18O/c1-4-6-7-12-8-9-13(14-3)10-11(12)5-2/h4,8-10H,1,5-7H2,2-3H3
InChIKeyISUVPEZOUYLIHE-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-4-methoxy-1-[(Z)-pent-3-enyl]benzene
CID 83941597
2-ethyl-4-methoxy-1-(2-methylbut-3-enyl)benzene
CID 83941599
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
1,2-dibutyl-4-methoxybenzene
CID 153315966
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
2-bromo-1-ethyl-4-methoxybenzene
CID 59138196
4-methoxy-2-methyl-1-oct-7-en-3-ynylbenzene
CID 134977382
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
2-ethyl-4-methoxy-1-prop-1-en-2-ylbenzene
CID 70232732
1-ethyl-4-methoxy-2-prop-1-en-2-ylbenzene
CID 70233927
5-methoxy-2-prop-2-enylphenol
CID 6424515

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-2-ethyl-4-methoxybenzene?
The IUPAC name of 1-but-3-enyl-2-ethyl-4-methoxybenzene (CID 83941580) is 1-but-3-enyl-2-ethyl-4-methoxybenzene.
What is the SMILES notation for 1-but-3-enyl-2-ethyl-4-methoxybenzene?
The canonical SMILES for 1-but-3-enyl-2-ethyl-4-methoxybenzene is C=CCCc1ccc(OC)cc1CC.
What is the InChIKey of 1-but-3-enyl-2-ethyl-4-methoxybenzene?
The InChIKey is ISUVPEZOUYLIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-6-7-12-8-9-13(14-3)10-11(12)5-2/h4,8-10H,1,5-7H2,2-3H3.
What are the key properties of 1-but-3-enyl-2-ethyl-4-methoxybenzene?
1-but-3-enyl-2-ethyl-4-methoxybenzene has a molecular weight of 190.29 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2-ethyl-4-methoxybenzene is sourced from PubChem (CID 83941580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).