1-bromo-2-methoxy-4-prop-2-enylbenzene

C10H11BrO — CID 70188146

IUPAC1-bromo-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(Br)c(OC)c1
InChIInChI=1S/C10H11BrO/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7H,1,4H2,2H3
InChIKeyWPXJWBKQHZAWCS-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.19
Rot. Bonds3

About 1-bromo-2-methoxy-4-prop-2-enylbenzene

1-bromo-2-methoxy-4-prop-2-enylbenzene (PubChem CID 70188146) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-bromo-2-methoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-bromo-2-methoxy-4-prop-2-enylbenzene
PubChem CID70188146
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-bromo-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(Br)c(OC)c1
InChIInChI=1S/C10H11BrO/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7H,1,4H2,2H3
InChIKeyWPXJWBKQHZAWCS-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.19
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

1-bromo-4-but-3-enyl-2-methoxybenzene
CID 175669569
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-(4-bromo-3-methoxyphenyl)ethanimine
CID 123266236
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
ethane;2-methoxy-1-methyl-4-prop-2-enylbenzene
CID 142811862
CID 69284850
CID 69284850
2-methoxy-4-prop-2-enylphenol;hydroiodide
CID 172782314
(2-methoxy-4-prop-2-enylphenoxy)phosphane
CID 155424724
buta-1,3-diene;bis(2-methoxy-4-prop-2-enylphenol)
CID 175132786
1-deuteriooxy-2-methoxy-4-prop-2-enylbenzene
CID 123654669
(2-methoxy-4-prop-2-enylphenyl) formate
CID 24835
2-methoxy-1-propan-2-yloxy-4-prop-2-enylbenzene
CID 57350376

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methoxy-4-prop-2-enylbenzene?
The IUPAC name of 1-bromo-2-methoxy-4-prop-2-enylbenzene (CID 70188146) is 1-bromo-2-methoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1-bromo-2-methoxy-4-prop-2-enylbenzene?
The canonical SMILES for 1-bromo-2-methoxy-4-prop-2-enylbenzene is C=CCc1ccc(Br)c(OC)c1.
What is the InChIKey of 1-bromo-2-methoxy-4-prop-2-enylbenzene?
The InChIKey is WPXJWBKQHZAWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7H,1,4H2,2H3.
What are the key properties of 1-bromo-2-methoxy-4-prop-2-enylbenzene?
1-bromo-2-methoxy-4-prop-2-enylbenzene has a molecular weight of 227.10 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 70188146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).