1-but-3-enyl-4-methoxybenzene

C11H13O+ — CID 164669650

IUPAC1-but-3-enyl-4-methoxybenzene
SMILES[H]/[C+]=C/CCc1ccc(OC)cc1
InChIInChI=1S/C11H13O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h1,3,6-9H,4-5H2,2H3/q+1
InChIKeyBRXLDINRQKONOZ-UHFFFAOYSA-N
MW161.22 g/mol
LogP2.62
Rot. Bonds4

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

1-but-3-enyl-4-methoxybenzene (PubChem CID 164669650) has the molecular formula C11H13O+ and a molecular weight of 161.22 g/mol. Its IUPAC name is 1-but-3-enyl-4-methoxybenzene.

Molecular Properties

Compound Name1-but-3-enyl-4-methoxybenzene
PubChem CID164669650
Molecular FormulaC11H13O+
Molecular Weight161.22 g/mol
Exact Mass161.10
IUPAC Name1-but-3-enyl-4-methoxybenzene
SMILES[H]/[C+]=C/CCc1ccc(OC)cc1
InChIInChI=1S/C11H13O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h1,3,6-9H,4-5H2,2H3/q+1
InChIKeyBRXLDINRQKONOZ-UHFFFAOYSA-N
XLogP2.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-but-3-enyl-4-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

1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
1-[(E)-6-iodohex-3-enyl]-4-methoxybenzene
CID 23455715
(E)-5-(4-methoxyphenyl)-2-methylpent-2-en-1-ol
CID 10420524
ethane;1-methoxy-4-propylbenzene
CID 142085762
1-[(E)-dec-3-enyl]-4-methoxybenzene
CID 11299600
1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene
CID 11415775
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
2-(4-methoxyphenyl)-N,N-dimethylethanamine oxide
CID 11830333
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
6-(4-methoxyphenyl)hex-1-en-1-ol
CID 67578939
1-[(E)-dec-4-enyl]-4-methoxybenzene
CID 11288075

Frequently Asked Questions

What is the IUPAC name of 1-but-3-enyl-4-methoxybenzene?
The IUPAC name of 1-but-3-enyl-4-methoxybenzene (CID 164669650) is 1-but-3-enyl-4-methoxybenzene.
What is the SMILES notation for 1-but-3-enyl-4-methoxybenzene?
The canonical SMILES for 1-but-3-enyl-4-methoxybenzene is [H]/[C+]=C/CCc1ccc(OC)cc1.
What is the InChIKey of 1-but-3-enyl-4-methoxybenzene?
The InChIKey is BRXLDINRQKONOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O/c1-3-4-5-10-6-8-11(12-2)9-7-10/h1,3,6-9H,4-5H2,2H3/q+1.
What are the key properties of 1-but-3-enyl-4-methoxybenzene?
1-but-3-enyl-4-methoxybenzene has a molecular weight of 161.22 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-4-methoxybenzene is sourced from PubChem (CID 164669650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).