2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol

C16H14Br2O — CID 45257812

IUPAC2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol
SMILESCc1cc(C)cc(/C=C/c2cc(Br)c(O)c(Br)c2)c1
InChIInChI=1S/C16H14Br2O/c1-10-5-11(2)7-12(6-10)3-4-13-8-14(17)16(19)15(18)9-13/h3-9,19H,1-2H3/b4-3+
InChIKeyKMNSGOJUGNANEN-ONEGZZNKSA-N
MW382.10 g/mol
LogP5.70
Rot. Bonds2

About 2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol

2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol (PubChem CID 45257812) has the molecular formula C16H14Br2O and a molecular weight of 382.10 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol
PubChem CID45257812
Molecular FormulaC16H14Br2O
Molecular Weight382.10 g/mol
Exact Mass379.94
IUPAC Name2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol
SMILESCc1cc(C)cc(/C=C/c2cc(Br)c(O)c(Br)c2)c1
InChIInChI=1S/C16H14Br2O/c1-10-5-11(2)7-12(6-10)3-4-13-8-14(17)16(19)15(18)9-13/h3-9,19H,1-2H3/b4-3+
InChIKeyKMNSGOJUGNANEN-ONEGZZNKSA-N
XLogP5.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.10
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Tetrabromobisphenol A
CID 6618
Tribromobisphenol A
CID 80801
p-Cresol, 2,6-dibromo-
CID 17078
2-Bromo-4-methylphenol
CID 23109
2,6-Dibromo-4-phenylphenol
CID 243556
2-Bromo-4-phenylphenol
CID 27297
2-Bromo-4-tert-butylphenol
CID 75147
2-Bromo-4,6-dimethylphenol
CID 299976
2,6-dibromo-4-((E)-2-phenylethenyl)phenol
CID 25129137
4,4'-Methylenebis[2,6-dibromophenol]
CID 89069
2-Bromo-4-(propan-2-yl)phenol
CID 14969173
3,3'-Dibromobisphenol A
CID 656687

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol (CID 45257812) is 2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol is Cc1cc(C)cc(/C=C/c2cc(Br)c(O)c(Br)c2)c1.
What is the InChIKey of 2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol?
The InChIKey is KMNSGOJUGNANEN-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H14Br2O/c1-10-5-11(2)7-12(6-10)3-4-13-8-14(17)16(19)15(18)9-13/h3-9,19H,1-2H3/b4-3+.
What are the key properties of 2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol?
2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol has a molecular weight of 382.10 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-2-(3,5-dimethylphenyl)ethenyl]phenol is sourced from PubChem (CID 45257812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).