1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene

C11H13BrO — CID 79323342

IUPAC1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
SMILESCOc1ccc(C=C(C)CBr)cc1
InChIInChI=1S/C11H13BrO/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-7H,8H2,1-2H3
InChIKeyYWSIGTLZOVSMKC-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.49
Rot. Bonds3

About 1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene

1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene (PubChem CID 79323342) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
PubChem CID79323342
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene
SMILESCOc1ccc(C=C(C)CBr)cc1
InChIInChI=1S/C11H13BrO/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-7H,8H2,1-2H3
InChIKeyYWSIGTLZOVSMKC-UHFFFAOYSA-N
XLogP3.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-methylprop-1-enyl)-4-methoxybenzene
CID 70503857
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
1-(2,2-dibromoethenyl)-4-methoxybenzene
CID 10859278
(E)-3-(4-methoxyphenyl)-2-methylprop-2-ene-1-sulfonic acid
CID 90282148
1-(3-bromo-2-methylprop-1-enyl)-2,4-dimethoxybenzene
CID 79322600
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
4-(3-bromo-2-methylprop-1-enyl)pyridine
CID 79322993
1-[[(Z)-3-(4-methoxyphenyl)-2-methylprop-2-enyl]amino]-3-methylbutan-2-ol
CID 109396219
3-(4-methoxyphenyl)-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79338398
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
4-(3-bromo-2-methylprop-1-enyl)-1,2-dimethylbenzene
CID 79323664

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene?
The IUPAC name of 1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene (CID 79323342) is 1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene.
What is the SMILES notation for 1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene?
The canonical SMILES for 1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene is COc1ccc(C=C(C)CBr)cc1.
What is the InChIKey of 1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene?
The InChIKey is YWSIGTLZOVSMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO/c1-9(8-12)7-10-3-5-11(13-2)6-4-10/h3-7H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene?
1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene has a molecular weight of 241.13 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylprop-1-enyl)-4-methoxybenzene is sourced from PubChem (CID 79323342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).