[2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium

C18H12Br2O3P+ — CID 70593965

IUPAC[2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)Oc1cccc(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C18H11Br2O3P/c19-14-8-4-12(5-9-14)16-2-1-3-17(23-24(21)22)18(16)13-6-10-15(20)11-7-13/h1-11H/p+1
InChIKeyRACXPDRVQAZUEL-UHFFFAOYSA-O
MW467.07 g/mol
LogP6.57
Rot. Bonds4

About [2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium

[2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium (PubChem CID 70593965) has the molecular formula C18H12Br2O3P+ and a molecular weight of 467.07 g/mol. Its IUPAC name is [2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium
PubChem CID70593965
Molecular FormulaC18H12Br2O3P+
Molecular Weight467.07 g/mol
Exact Mass464.89
IUPAC Name[2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium
SMILESO=[P+](O)Oc1cccc(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1
InChIInChI=1S/C18H11Br2O3P/c19-14-8-4-12(5-9-14)16-2-1-3-17(23-24(21)22)18(16)13-6-10-15(20)11-7-13/h1-11H/p+1
InChIKeyRACXPDRVQAZUEL-UHFFFAOYSA-O
XLogP6.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.07
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenyl)-1-(4-hydroxyphenyl)-3H-inden-5-ol
CID 14146267
Phosphinic acid diphenyl-phenyl ester
CID 54148211
2,3-Di(propan-2-yl)phenyl diphenyl phosphate
CID 67406044
[2-(2-Bromophenyl)-4-ethyl-3-(trifluoromethyl)phenoxy]-hydroxy-oxophosphanium
CID 70566339
4-(4-Bromophenyl)-2-hydroxy-1,2lambda5-benzoxaphosphinine 2-oxide
CID 15357331
7-Bromo-2-hydroxy-4-phenyl-1,2lambda5-benzoxaphosphinine 2-oxide
CID 12135635
Phosphoric acid, bis(3-methylphenyl) 4-bromophenyl ester
CID 6426555
[2,3-Bis(2-nonylphenyl)phenyl] dihydrogen phosphate
CID 18698880
(2,3-Diphenylphenyl) dihydrogen phosphite
CID 19385221
[2,3-Bis(2,3,4-tribromophenyl)phenyl] dihydrogen phosphate
CID 19424372
[2,3-Bis(2,4,6-tribromophenyl)phenyl] dihydrogen phosphate
CID 19424374
[2,3-Bis(2-butylphenyl)phenyl] dihydrogen phosphate
CID 19889125

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium?
The IUPAC name of [2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium (CID 70593965) is [2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium is O=[P+](O)Oc1cccc(-c2ccc(Br)cc2)c1-c1ccc(Br)cc1.
What is the InChIKey of [2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium?
The InChIKey is RACXPDRVQAZUEL-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H11Br2O3P/c19-14-8-4-12(5-9-14)16-2-1-3-17(23-24(21)22)18(16)13-6-10-15(20)11-7-13/h1-11H/p+1.
What are the key properties of [2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium?
[2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium has a molecular weight of 467.07 g/mol, XLogP of 6.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(4-bromophenyl)phenoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 70593965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).