4-bromo-2-(1-methoxyethenyl)-1-methylbenzene

C10H11BrO — CID 146980041

IUPAC4-bromo-2-(1-methoxyethenyl)-1-methylbenzene
SMILESC=C(OC)c1cc(Br)ccc1C
InChIInChI=1S/C10H11BrO/c1-7-4-5-9(11)6-10(7)8(2)12-3/h4-6H,2H2,1,3H3
InChIKeyAODCDPULIIVTCI-UHFFFAOYSA-N
MW227.10 g/mol
LogP3.37
Rot. Bonds2

About 4-bromo-2-(1-methoxyethenyl)-1-methylbenzene

4-bromo-2-(1-methoxyethenyl)-1-methylbenzene (PubChem CID 146980041) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 4-bromo-2-(1-methoxyethenyl)-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-2-(1-methoxyethenyl)-1-methylbenzene
PubChem CID146980041
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name4-bromo-2-(1-methoxyethenyl)-1-methylbenzene
SMILESC=C(OC)c1cc(Br)ccc1C
InChIInChI=1S/C10H11BrO/c1-7-4-5-9(11)6-10(7)8(2)12-3/h4-6H,2H2,1,3H3
InChIKeyAODCDPULIIVTCI-UHFFFAOYSA-N
XLogP3.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(5-bromo-2-methylbenzoyl)amino]benzoate
CID 65311803
5-bromo-N-(2-but-3-enoxyethyl)-2-methylbenzamide
CID 103855682
methyl 4-bromo-2-(1-isocyanoethenyl)benzoate
CID 176795412
1-(5-bromo-2-methylphenyl)pentane-1,4-dione
CID 83556651
methyl 4-bromo-2-(1-cyanoethenyl)benzoate
CID 163371701
5-bromo-N-cyano-2-methylbenzamide
CID 79194452
methyl 2-amino-5-bromobenzoate;hydrobromide
CID 162716594
1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one
CID 83720106
5-bromo-N-(1-methoxybutan-2-yl)-2-methylbenzamide
CID 65311170
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
(5-bromo-2-methylphenyl)-(2,5-dimethoxyphenyl)methanone
CID 65306184
ethyl 2-[(5-bromo-2-methylbenzoyl)amino]acetate
CID 65307374

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(1-methoxyethenyl)-1-methylbenzene?
The IUPAC name of 4-bromo-2-(1-methoxyethenyl)-1-methylbenzene (CID 146980041) is 4-bromo-2-(1-methoxyethenyl)-1-methylbenzene.
What is the SMILES notation for 4-bromo-2-(1-methoxyethenyl)-1-methylbenzene?
The canonical SMILES for 4-bromo-2-(1-methoxyethenyl)-1-methylbenzene is C=C(OC)c1cc(Br)ccc1C.
What is the InChIKey of 4-bromo-2-(1-methoxyethenyl)-1-methylbenzene?
The InChIKey is AODCDPULIIVTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-7-4-5-9(11)6-10(7)8(2)12-3/h4-6H,2H2,1,3H3.
What are the key properties of 4-bromo-2-(1-methoxyethenyl)-1-methylbenzene?
4-bromo-2-(1-methoxyethenyl)-1-methylbenzene has a molecular weight of 227.10 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(1-methoxyethenyl)-1-methylbenzene is sourced from PubChem (CID 146980041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).