4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene

C12H15BrO — CID 83933802

IUPAC4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C12H15BrO/c1-4-9(2)7-10-8-11(13)5-6-12(10)14-3/h4-6,8-9H,1,7H2,2-3H3
InChIKeyOXSSFLXRKRXSTK-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.82
Rot. Bonds4

About 4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene

4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene (PubChem CID 83933802) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene.

Molecular Properties

Compound Name4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene
PubChem CID83933802
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene
SMILESC=CC(C)Cc1cc(Br)ccc1OC
InChIInChI=1S/C12H15BrO/c1-4-9(2)7-10-8-11(13)5-6-12(10)14-3/h4-6,8-9H,1,7H2,2-3H3
InChIKeyOXSSFLXRKRXSTK-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.82
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

4-bromo-2-(2-methylbut-3-enyl)-1-propoxybenzene
CID 83934016
1-(5-bromo-2-methoxyphenyl)propan-2-amine
CID 43141128
4-bromo-2-(3-chloro-2-methylpropyl)-1-methoxybenzene
CID 66033395
1-(5-bromo-2-methoxyphenyl)pent-4-en-2-ylhydrazine
CID 105269705
4-(5-bromo-2-methoxyphenyl)-3-methylbutan-1-amine
CID 81013850
1-(5-bromo-2-methoxyphenyl)-4-methylpentane-2,3-diol
CID 103456639
1-chloro-2,4-dimethoxy-5-(2-methylbut-3-enyl)benzene
CID 83943354
3-(5-bromo-2-methoxyphenyl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62530686
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
1-(4-bromo-2-methoxyphenyl)-2-(5-bromo-2-methoxyphenyl)ethanamine
CID 115817615
3-(4-bromo-2-methoxyphenyl)-2-methylpropanal
CID 91884164
4-(5-bromo-2-methoxyphenyl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443576

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene?
The IUPAC name of 4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene (CID 83933802) is 4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene.
What is the SMILES notation for 4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene?
The canonical SMILES for 4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene is C=CC(C)Cc1cc(Br)ccc1OC.
What is the InChIKey of 4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene?
The InChIKey is OXSSFLXRKRXSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-4-9(2)7-10-8-11(13)5-6-12(10)14-3/h4-6,8-9H,1,7H2,2-3H3.
What are the key properties of 4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene?
4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene has a molecular weight of 255.15 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methoxy-2-(2-methylbut-3-enyl)benzene is sourced from PubChem (CID 83933802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).