4-methoxybut-3-en-2-ylsulfanylbenzene

C11H14OS — CID 131869014

IUPAC4-methoxybut-3-en-2-ylsulfanylbenzene
SMILESCOC=CC(C)Sc1ccccc1
InChIInChI=1S/C11H14OS/c1-10(8-9-12-2)13-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyOFWSJYAFLUWPQD-UHFFFAOYSA-N
MW194.30 g/mol
LogP3.33
Rot. Bonds4

About 4-methoxybut-3-en-2-ylsulfanylbenzene

4-methoxybut-3-en-2-ylsulfanylbenzene (PubChem CID 131869014) has the molecular formula C11H14OS and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-methoxybut-3-en-2-ylsulfanylbenzene.

Molecular Properties

Compound Name4-methoxybut-3-en-2-ylsulfanylbenzene
PubChem CID131869014
Molecular FormulaC11H14OS
Molecular Weight194.30 g/mol
Exact Mass194.08
IUPAC Name4-methoxybut-3-en-2-ylsulfanylbenzene
SMILESCOC=CC(C)Sc1ccccc1
InChIInChI=1S/C11H14OS/c1-10(8-9-12-2)13-11-6-4-3-5-7-11/h3-10H,1-2H3
InChIKeyOFWSJYAFLUWPQD-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 4-methoxybut-3-en-2-ylsulfanylbenzene 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

pent-3-en-2-ylsulfanylbenzene
CID 71350028
[(Z)-4-methoxybut-3-en-2-yl]benzene
CID 10558945
1-methyl-4-[(E)-4-phenylbut-3-en-2-yl]sulfanylbenzene
CID 135039325
3-(3-methoxy-1-phenylsulfanylprop-2-enyl)cyclohexan-1-one
CID 67864531
dimethoxymethylsulfanylbenzene;ethane
CID 90710685
[(2S)-butan-2-yl]sulfanylbenzene
CID 12812299
1-fluoropropan-2-ylsulfanylbenzene
CID 15563457
(2E,4E)-2-(N-methylanilino)-6-phenylsulfanylhepta-2,4-dienenitrile
CID 10041702
methyl (2R,3S)-2-methyl-3-phenylsulfanylbutanoate
CID 10353592
1-(5,6-diphenyl-1,2,4-triazin-3-yl)-2-[(E)-3-phenylsulfanylbut-1-enyl]hydrazine
CID 14950980
(2,2,2-trifluoro-1-methoxyethyl)sulfanylbenzene
CID 11276083
methoxymethane;phenylsulfanylbenzene
CID 175087336

Frequently Asked Questions

What is the IUPAC name of 4-methoxybut-3-en-2-ylsulfanylbenzene?
The IUPAC name of 4-methoxybut-3-en-2-ylsulfanylbenzene (CID 131869014) is 4-methoxybut-3-en-2-ylsulfanylbenzene.
What is the SMILES notation for 4-methoxybut-3-en-2-ylsulfanylbenzene?
The canonical SMILES for 4-methoxybut-3-en-2-ylsulfanylbenzene is COC=CC(C)Sc1ccccc1.
What is the InChIKey of 4-methoxybut-3-en-2-ylsulfanylbenzene?
The InChIKey is OFWSJYAFLUWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14OS/c1-10(8-9-12-2)13-11-6-4-3-5-7-11/h3-10H,1-2H3.
What are the key properties of 4-methoxybut-3-en-2-ylsulfanylbenzene?
4-methoxybut-3-en-2-ylsulfanylbenzene has a molecular weight of 194.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybut-3-en-2-ylsulfanylbenzene is sourced from PubChem (CID 131869014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).