1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol

C18H14Br2O2 — CID 142351856

IUPAC1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol
SMILESO[C@]1(c2ccc(Br)cc2)C=C[C@@](O)(c2ccc(Br)cc2)C=C1
InChIInChI=1S/C18H14Br2O2/c19-15-5-1-13(2-6-15)17(21)9-11-18(22,12-10-17)14-3-7-16(20)8-4-14/h1-12,21-22H/t17-,18+
InChIKeyGWQTYIBLMWOJJJ-HDICACEKSA-N
MW422.12 g/mol
LogP4.41
Rot. Bonds2

About 1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol

1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol (PubChem CID 142351856) has the molecular formula C18H14Br2O2 and a molecular weight of 422.12 g/mol. Its IUPAC name is 1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol.

Molecular Properties

Compound Name1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol
PubChem CID142351856
Molecular FormulaC18H14Br2O2
Molecular Weight422.12 g/mol
Exact Mass419.94
IUPAC Name1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol
SMILESO[C@]1(c2ccc(Br)cc2)C=C[C@@](O)(c2ccc(Br)cc2)C=C1
InChIInChI=1S/C18H14Br2O2/c19-15-5-1-13(2-6-15)17(21)9-11-18(22,12-10-17)14-3-7-16(20)8-4-14/h1-12,21-22H/t17-,18+
InChIKeyGWQTYIBLMWOJJJ-HDICACEKSA-N
XLogP4.41
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.12
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

p-Bromobenzhydryl alcohol
CID 98221
(3-Bromophenyl)(phenyl)methanol
CID 285827
2-(2-Bromophenyl)propan-2-ol
CID 329527
Bis(4-bromophenyl)(phenyl)methanol
CID 4152948
4-[2-(4-Bromophenyl)-1-(4-hydroxyphenyl)ethenyl]phenol
CID 14065280
2-Bromo-alpha-phenylbenzenemethanol
CID 11425518
2-(4-Bromophenyl)propan-2-ol
CID 12681920
1-(4-Bromophenyl)-2-phenylethan-1-ol
CID 10858776
4-Bromo-alpha-cyclopropyl-alpha-methylbenzyl alcohol
CID 91987
2-(4-Bromophenyl)-4-ethylhexane-2,4-diol
CID 30497
2,4-Pentanediol, 2-(p-bromophenyl)-4-methyl-
CID 210211
(r)-(4-Bromophenyl)(phenyl)methanol
CID 778573

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol?
The IUPAC name of 1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol (CID 142351856) is 1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol.
What is the SMILES notation for 1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol?
The canonical SMILES for 1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol is O[C@]1(c2ccc(Br)cc2)C=C[C@@](O)(c2ccc(Br)cc2)C=C1.
What is the InChIKey of 1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol?
The InChIKey is GWQTYIBLMWOJJJ-HDICACEKSA-N. The full InChI is InChI=1S/C18H14Br2O2/c19-15-5-1-13(2-6-15)17(21)9-11-18(22,12-10-17)14-3-7-16(20)8-4-14/h1-12,21-22H/t17-,18+.
What are the key properties of 1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol?
1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol has a molecular weight of 422.12 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(4-bromophenyl)cyclohexa-2,5-diene-1,4-diol is sourced from PubChem (CID 142351856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).