2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol

C15H12Br2O2 — CID 45257931

IUPAC2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol
SMILESCOc1ccccc1/C=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2O2/c1-19-14-5-3-2-4-11(14)7-6-10-8-12(16)15(18)13(17)9-10/h2-9,18H,1H3/b7-6+
InChIKeyDLSNGXCDNGMOBK-VOTSOKGWSA-N
MW384.07 g/mol
LogP5.10
Rot. Bonds3

About 2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol

2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol (PubChem CID 45257931) has the molecular formula C15H12Br2O2 and a molecular weight of 384.07 g/mol. Its IUPAC name is 2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol.

Molecular Properties

Compound Name2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol
PubChem CID45257931
Molecular FormulaC15H12Br2O2
Molecular Weight384.07 g/mol
Exact Mass381.92
IUPAC Name2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol
SMILESCOc1ccccc1/C=C/c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C15H12Br2O2/c1-19-14-5-3-2-4-11(14)7-6-10-8-12(16)15(18)13(17)9-10/h2-9,18H,1H3/b7-6+
InChIKeyDLSNGXCDNGMOBK-VOTSOKGWSA-N
XLogP5.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.07
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tribromobisphenol A
CID 80801
tetrabromobisphenol A dimethyl ether
CID 37841
5,5'-Dibromo-2,2'-dimethoxybiphenyl
CID 378886
3-Bromo-4-methoxybiphenyl
CID 262267
5-Bromo-2-methoxybenzyl alcohol
CID 612298
2-Bromo-4-methylanisole
CID 89143
2,6-dibromo-4-((E)-2-phenylethenyl)phenol
CID 25129137
5-[(Z)-2-(3,5-dibromo-4-methoxyphenyl)ethenyl]-2-methoxyphenol
CID 57393224
4'-Methoxy-2-hydroxystilbene
CID 5376527
4,4'-Methylenebis[2,6-dibromophenol]
CID 89069
3''-Bromorubrolide F
CID 71454812
2,6-Dibromo-4-methylanisole
CID 103932

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol?
The IUPAC name of 2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol (CID 45257931) is 2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol.
What is the SMILES notation for 2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol?
The canonical SMILES for 2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol is COc1ccccc1/C=C/c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol?
The InChIKey is DLSNGXCDNGMOBK-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H12Br2O2/c1-19-14-5-3-2-4-11(14)7-6-10-8-12(16)15(18)13(17)9-10/h2-9,18H,1H3/b7-6+.
What are the key properties of 2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol?
2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol has a molecular weight of 384.07 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-[(E)-2-(2-methoxyphenyl)ethenyl]phenol is sourced from PubChem (CID 45257931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).