4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol

C16H15BrO — CID 14771912

IUPAC4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol
SMILESCc1cc(/C=C/c2ccccc2Br)cc(C)c1O
InChIInChI=1S/C16H15BrO/c1-11-9-13(10-12(2)16(11)18)7-8-14-5-3-4-6-15(14)17/h3-10,18H,1-2H3/b8-7+
InChIKeyMCMMZYHBLBVLFX-BQYQJAHWSA-N
MW303.20 g/mol
LogP4.94
Rot. Bonds2

About 4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol

4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol (PubChem CID 14771912) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol
PubChem CID14771912
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol
SMILESCc1cc(/C=C/c2ccccc2Br)cc(C)c1O
InChIInChI=1S/C16H15BrO/c1-11-9-13(10-12(2)16(11)18)7-8-14-5-3-4-6-15(14)17/h3-10,18H,1-2H3/b8-7+
InChIKeyMCMMZYHBLBVLFX-BQYQJAHWSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol (CID 14771912) is 4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol is Cc1cc(/C=C/c2ccccc2Br)cc(C)c1O.
What is the InChIKey of 4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol?
The InChIKey is MCMMZYHBLBVLFX-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15BrO/c1-11-9-13(10-12(2)16(11)18)7-8-14-5-3-4-6-15(14)17/h3-10,18H,1-2H3/b8-7+.
What are the key properties of 4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol?
4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol has a molecular weight of 303.20 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-bromophenyl)ethenyl]-2,6-dimethylphenol is sourced from PubChem (CID 14771912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).