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

C11H13BrO — CID 175669569

IUPAC1-bromo-4-but-3-enyl-2-methoxybenzene
SMILESC=CCCc1ccc(Br)c(OC)c1
InChIInChI=1S/C11H13BrO/c1-3-4-5-9-6-7-10(12)11(8-9)13-2/h3,6-8H,1,4-5H2,2H3
InChIKeyCAXYNUGXURGWKW-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.58
Rot. Bonds4

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

1-bromo-4-but-3-enyl-2-methoxybenzene (PubChem CID 175669569) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-bromo-4-but-3-enyl-2-methoxybenzene.

Molecular Properties

Compound Name1-bromo-4-but-3-enyl-2-methoxybenzene
PubChem CID175669569
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-bromo-4-but-3-enyl-2-methoxybenzene
SMILESC=CCCc1ccc(Br)c(OC)c1
InChIInChI=1S/C11H13BrO/c1-3-4-5-9-6-7-10(12)11(8-9)13-2/h3,6-8H,1,4-5H2,2H3
InChIKeyCAXYNUGXURGWKW-UHFFFAOYSA-N
XLogP3.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-4-but-3-enyl-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

1-bromo-2-methoxy-4-prop-2-enylbenzene
CID 70188146
N-[2-(4-bromo-3-methoxyphenyl)ethyl]formamide
CID 87434130
4-but-3-enyl-1,2-dimethylbenzene
CID 24721981
2-(4-bromo-3-methoxyphenyl)ethanimine
CID 123266236
4-bromo-3-methoxy-N-[(4-prop-2-enoxyphenyl)methyl]aniline
CID 82859870
2-but-3-enyl-1-methoxy-4-(2-methylprop-2-enyl)benzene
CID 123961498
4-but-3-enyl-1-ethoxy-2-fluorobenzene
CID 58719105
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
1-bromo-4-methoxy-2-prop-2-enoxybenzene
CID 14703422
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-en-1-amine
CID 172866554
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-but-3-enyl-2-methoxybenzene?
The IUPAC name of 1-bromo-4-but-3-enyl-2-methoxybenzene (CID 175669569) is 1-bromo-4-but-3-enyl-2-methoxybenzene.
What is the SMILES notation for 1-bromo-4-but-3-enyl-2-methoxybenzene?
The canonical SMILES for 1-bromo-4-but-3-enyl-2-methoxybenzene is C=CCCc1ccc(Br)c(OC)c1.
What is the InChIKey of 1-bromo-4-but-3-enyl-2-methoxybenzene?
The InChIKey is CAXYNUGXURGWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-3-4-5-9-6-7-10(12)11(8-9)13-2/h3,6-8H,1,4-5H2,2H3.
What are the key properties of 1-bromo-4-but-3-enyl-2-methoxybenzene?
1-bromo-4-but-3-enyl-2-methoxybenzene has a molecular weight of 241.13 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-but-3-enyl-2-methoxybenzene is sourced from PubChem (CID 175669569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).