2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol

C22H20Br4O2 — CID 59075126

IUPAC2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol
SMILESOc1c(Br)cc(Br)cc1C=C[C@H]1CCCC[C@@H]1C=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C22H20Br4O2/c23-17-9-15(21(27)19(25)11-17)7-5-13-3-1-2-4-14(13)6-8-16-10-18(24)12-20(26)22(16)28/h5-14,27-28H,1-4H2/t13-,14-/m1/s1
InChIKeyOZZCNAPXAXYMNS-ZIAGYGMSSA-N
MW636.02 g/mol
LogP8.68
Rot. Bonds4

About 2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol

2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol (PubChem CID 59075126) has the molecular formula C22H20Br4O2 and a molecular weight of 636.02 g/mol. Its IUPAC name is 2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol
PubChem CID59075126
Molecular FormulaC22H20Br4O2
Molecular Weight636.02 g/mol
Exact Mass631.82
IUPAC Name2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol
SMILESOc1c(Br)cc(Br)cc1C=C[C@H]1CCCC[C@@H]1C=Cc1cc(Br)cc(Br)c1O
InChIInChI=1S/C22H20Br4O2/c23-17-9-15(21(27)19(25)11-17)7-5-13-3-1-2-4-14(13)6-8-16-10-18(24)12-20(26)22(16)28/h5-14,27-28H,1-4H2/t13-,14-/m1/s1
InChIKeyOZZCNAPXAXYMNS-ZIAGYGMSSA-N
XLogP8.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.02
LogP ≤ 58.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dibromo-6-(3-bromoprop-1-enyl)phenol
CID 169476608
2,4-dibromo-6-(3-hydroxyprop-1-enyl)phenol
CID 169454368
2-(3-aminoprop-1-enyl)-4,6-dibromophenol
CID 169464646
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
(E)-3-(3,5-dibromo-2-hydroxyphenyl)prop-2-enamide
CID 131238888
2,4-dibromo-6-(piperidin-1-yliminomethyl)phenol
CID 135709522
chromium;2,4-ditert-butyl-6-[(E)-2-[(1R,2R)-2-[(E)-2-(3,5-ditert-butyl-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol;azide
CID 10985081
2,4-dibromo-6-[(E)-heptadec-1-enyl]phenol
CID 10767322
2,4-dibromo-6-[[3,4-diamino-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]cyclohexylidene]methyl]phenol
CID 91394288
4-bromo-2-cyclopropyl-6-[(E)-prop-1-enyl]phenol
CID 164953516
2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
2,4-dibromo-6-[(1-ethylpiperidin-4-yl)iminomethyl]phenol
CID 135598114

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol?
The IUPAC name of 2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol (CID 59075126) is 2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol is Oc1c(Br)cc(Br)cc1C=C[C@H]1CCCC[C@@H]1C=Cc1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol?
The InChIKey is OZZCNAPXAXYMNS-ZIAGYGMSSA-N. The full InChI is InChI=1S/C22H20Br4O2/c23-17-9-15(21(27)19(25)11-17)7-5-13-3-1-2-4-14(13)6-8-16-10-18(24)12-20(26)22(16)28/h5-14,27-28H,1-4H2/t13-,14-/m1/s1.
What are the key properties of 2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol?
2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol has a molecular weight of 636.02 g/mol, XLogP of 8.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[2-[(1R,2R)-2-[2-(3,5-dibromo-2-hydroxyphenyl)ethenyl]cyclohexyl]ethenyl]phenol is sourced from PubChem (CID 59075126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).