2-bromo-6-ethenyl-4-methylphenol

C9H9BrO — CID 177021092

IUPAC2-bromo-6-ethenyl-4-methylphenol
SMILESC=Cc1cc(C)cc(Br)c1O
InChIInChI=1S/C9H9BrO/c1-3-7-4-6(2)5-8(10)9(7)11/h3-5,11H,1H2,2H3
InChIKeyLIDGWDINECRYCS-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.11
Rot. Bonds1

About 2-bromo-6-ethenyl-4-methylphenol

2-bromo-6-ethenyl-4-methylphenol (PubChem CID 177021092) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 2-bromo-6-ethenyl-4-methylphenol.

Molecular Properties

Compound Name2-bromo-6-ethenyl-4-methylphenol
PubChem CID177021092
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name2-bromo-6-ethenyl-4-methylphenol
SMILESC=Cc1cc(C)cc(Br)c1O
InChIInChI=1S/C9H9BrO/c1-3-7-4-6(2)5-8(10)9(7)11/h3-5,11H,1H2,2H3
InChIKeyLIDGWDINECRYCS-UHFFFAOYSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-6-ethenyl-4-methylphenol 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

2-bromo-6-[(3,5-dibromo-4-hydroxyphenyl)iminomethyl]-4-methylphenol
CID 4630820
2-bromo-6-[(2,5-dimethylphenyl)iminomethyl]-4-methylphenol
CID 3639370
2-bromo-6-[(2-chlorophenyl)iminomethyl]-4-methylphenol
CID 757958
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525
3-bromo-2-(2-bromo-6-formyl-4-methylphenyl)-5-methylbenzaldehyde
CID 132603186
1-[(3-bromo-2-hydroxy-5-methylphenyl)methylideneamino]-3-tert-butylthiourea
CID 2798126
1,2,4-tribromo-5-ethenylbenzene
CID 11013257
N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide
CID 126991929
2-bromo-6-[1-(3-bromo-2-hydroxy-5-methylphenyl)ethyl]-4-methylphenol
CID 134109781
2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol
CID 45257812
(2E,4E)-1-(3-bromo-2-hydroxy-5-methylphenyl)-4-ethenyl-2-methylhepta-2,4,6-trien-1-one
CID 171549472
[[(E)-N'-[(3-ethenyl-2-hydroxy-5-methylphenyl)methylideneamino]carbamimidoyl]amino]-methylideneazanium
CID 140931974

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethenyl-4-methylphenol?
The IUPAC name of 2-bromo-6-ethenyl-4-methylphenol (CID 177021092) is 2-bromo-6-ethenyl-4-methylphenol.
What is the SMILES notation for 2-bromo-6-ethenyl-4-methylphenol?
The canonical SMILES for 2-bromo-6-ethenyl-4-methylphenol is C=Cc1cc(C)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-ethenyl-4-methylphenol?
The InChIKey is LIDGWDINECRYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c1-3-7-4-6(2)5-8(10)9(7)11/h3-5,11H,1H2,2H3.
What are the key properties of 2-bromo-6-ethenyl-4-methylphenol?
2-bromo-6-ethenyl-4-methylphenol has a molecular weight of 213.07 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethenyl-4-methylphenol is sourced from PubChem (CID 177021092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).