4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol

C23H20Br2O2 — CID 141086933

IUPAC4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol
SMILESCC(C)c1cc(Oc2c(Br)cccc2Br)cc(/C=C/c2ccccc2)c1O
InChIInChI=1S/C23H20Br2O2/c1-15(2)19-14-18(27-23-20(24)9-6-10-21(23)25)13-17(22(19)26)12-11-16-7-4-3-5-8-16/h3-15,26H,1-2H3/b12-11+
InChIKeyKWAZBHVNSSTAKK-VAWYXSNFSA-N
MW488.22 g/mol
LogP8.00
Rot. Bonds5

About 4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol

4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol (PubChem CID 141086933) has the molecular formula C23H20Br2O2 and a molecular weight of 488.22 g/mol. Its IUPAC name is 4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol.

Molecular Properties

Compound Name4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol
PubChem CID141086933
Molecular FormulaC23H20Br2O2
Molecular Weight488.22 g/mol
Exact Mass485.98
IUPAC Name4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol
SMILESCC(C)c1cc(Oc2c(Br)cccc2Br)cc(/C=C/c2ccccc2)c1O
InChIInChI=1S/C23H20Br2O2/c1-15(2)19-14-18(27-23-20(24)9-6-10-21(23)25)13-17(22(19)26)12-11-16-7-4-3-5-8-16/h3-15,26H,1-2H3/b12-11+
InChIKeyKWAZBHVNSSTAKK-VAWYXSNFSA-N
XLogP8.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.22
LogP ≤ 58.00
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

3-[3,5-dibromo-4-[4-hydroxy-3-propan-2-yl-5-(2-pyridin-4-ylethenyl)phenoxy]phenyl]propanoic acid
CID 136508366
3-[3,5-dibromo-4-[3-[2-[4-[(dimethylamino)methyl]phenyl]ethenyl]-4-hydroxy-5-propan-2-ylphenoxy]phenyl]propanoic acid
CID 69414104
3-[3,5-dibromo-4-[4-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethenyl]-5-propan-2-ylphenoxy]phenyl]propanoic acid
CID 69012059
2-bromo-6-propan-2-ylphenol
CID 14663965
2-methyl-4,6-bis[(E)-2-phenylethenyl]phenol
CID 6071425
1,2-diethoxy-3-(2-phenylethenyl)benzene
CID 67865300
1-[2-[4-[4-[2-(1-hydroxyethyl)-6-[(E)-2-phenylethenyl]phenyl]phenoxy]phenyl]-3-[(E)-2-phenylethenyl]phenyl]ethanol
CID 141075577
2,4-dibromo-6-(2,6-dibromophenoxy)phenol
CID 125360388
2-methyl-6-[(E)-2-phenylethenyl]phenol
CID 22713146
2-[3,5-dibromo-4-[3-[2-(hydroxyamino)ethyl]-4-propan-2-yl-5-[(E)-2-pyridin-4-ylethenyl]phenoxy]phenyl]acetic acid
CID 52919322
2-[[3,5-dibromo-4-(4-hydroxy-3-methyl-5-propan-2-ylphenoxy)benzoyl]amino]acetic acid
CID 10368718
4-(4-amino-2,6-dibromo-3-methylphenoxy)-2-methyl-6-propan-2-ylphenol
CID 123743780

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol?
The IUPAC name of 4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol (CID 141086933) is 4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol.
What is the SMILES notation for 4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol?
The canonical SMILES for 4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol is CC(C)c1cc(Oc2c(Br)cccc2Br)cc(/C=C/c2ccccc2)c1O.
What is the InChIKey of 4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol?
The InChIKey is KWAZBHVNSSTAKK-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H20Br2O2/c1-15(2)19-14-18(27-23-20(24)9-6-10-21(23)25)13-17(22(19)26)12-11-16-7-4-3-5-8-16/h3-15,26H,1-2H3/b12-11+.
What are the key properties of 4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol?
4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol has a molecular weight of 488.22 g/mol, XLogP of 8.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dibromophenoxy)-2-[(E)-2-phenylethenyl]-6-propan-2-ylphenol is sourced from PubChem (CID 141086933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).