4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol

C16H15BrO — CID 118720092

IUPAC4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol
SMILESCc1cc(C)cc(/C=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C16H15BrO/c1-11-7-12(2)9-13(8-11)3-4-14-10-15(17)5-6-16(14)18/h3-10,18H,1-2H3/b4-3+
InChIKeyIMQWZZBDOOMBNU-ONEGZZNKSA-N
MW303.20 g/mol
LogP4.94
Rot. Bonds2

About 4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol

4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol (PubChem CID 118720092) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol
PubChem CID118720092
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol
SMILESCc1cc(C)cc(/C=C/c2cc(Br)ccc2O)c1
InChIInChI=1S/C16H15BrO/c1-11-7-12(2)9-13(8-11)3-4-14-10-15(17)5-6-16(14)18/h3-10,18H,1-2H3/b4-3+
InChIKeyIMQWZZBDOOMBNU-ONEGZZNKSA-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-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol?
The IUPAC name of 4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol (CID 118720092) is 4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol.
What is the SMILES notation for 4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol?
The canonical SMILES for 4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol is Cc1cc(C)cc(/C=C/c2cc(Br)ccc2O)c1.
What is the InChIKey of 4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol?
The InChIKey is IMQWZZBDOOMBNU-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H15BrO/c1-11-7-12(2)9-13(8-11)3-4-14-10-15(17)5-6-16(14)18/h3-10,18H,1-2H3/b4-3+.
What are the key properties of 4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol?
4-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol 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-bromo-2-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol is sourced from PubChem (CID 118720092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).