bis(2-bromophenyl) phenyl phosphate

C18H13Br2O4P — CID 154206613

IUPACbis(2-bromophenyl) phenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1Br)Oc1ccccc1Br
InChIInChI=1S/C18H13Br2O4P/c19-15-10-4-6-12-17(15)23-25(21,22-14-8-2-1-3-9-14)24-18-13-7-5-11-16(18)20/h1-13H
InChIKeyMFHFVVGYZVUPSA-UHFFFAOYSA-N
MW484.08 g/mol
LogP6.86
Rot. Bonds6

About bis(2-bromophenyl) phenyl phosphate

bis(2-bromophenyl) phenyl phosphate (PubChem CID 154206613) has the molecular formula C18H13Br2O4P and a molecular weight of 484.08 g/mol. Its IUPAC name is bis(2-bromophenyl) phenyl phosphate.

Molecular Properties

Compound Namebis(2-bromophenyl) phenyl phosphate
PubChem CID154206613
Molecular FormulaC18H13Br2O4P
Molecular Weight484.08 g/mol
Exact Mass481.89
IUPAC Namebis(2-bromophenyl) phenyl phosphate
SMILESO=P(Oc1ccccc1)(Oc1ccccc1Br)Oc1ccccc1Br
InChIInChI=1S/C18H13Br2O4P/c19-15-10-4-6-12-17(15)23-25(21,22-14-8-2-1-3-9-14)24-18-13-7-5-11-16(18)20/h1-13H
InChIKeyMFHFVVGYZVUPSA-UHFFFAOYSA-N
XLogP6.86
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.08
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triphenyl phosphate;hydrate
CID 66881958
bis(4-diphenoxyphosphoryloxyphenyl) phenyl phosphate
CID 58066863
bis(2-methylphenyl) phenyl phosphate
CID 14618640
tris(4-phenoxyphenyl) phosphate
CID 70576220
2-methylpropane;triphenyl phosphate
CID 91193965
[2-[1-(2-diphenoxyphosphoryloxyphenyl)propyl]phenyl] diphenyl phosphate
CID 54005902
diphenyl silyl phosphate
CID 71371486
CID 175741196
CID 175741196
triphenyl phosphate;tris(2-methylphenyl) phosphate;tris(3-methylphenyl) phosphate
CID 174811049
(4-diphenoxyphosphanyloxyphenyl) diphenyl phosphate
CID 126496961
(2,5-dihydroxyphenyl) diphenyl phosphate
CID 22481167
(2-methylphenyl) dihydrogen phosphate;triphenyl phosphate
CID 175331630

Frequently Asked Questions

What is the IUPAC name of bis(2-bromophenyl) phenyl phosphate?
The IUPAC name of bis(2-bromophenyl) phenyl phosphate (CID 154206613) is bis(2-bromophenyl) phenyl phosphate.
What is the SMILES notation for bis(2-bromophenyl) phenyl phosphate?
The canonical SMILES for bis(2-bromophenyl) phenyl phosphate is O=P(Oc1ccccc1)(Oc1ccccc1Br)Oc1ccccc1Br.
What is the InChIKey of bis(2-bromophenyl) phenyl phosphate?
The InChIKey is MFHFVVGYZVUPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Br2O4P/c19-15-10-4-6-12-17(15)23-25(21,22-14-8-2-1-3-9-14)24-18-13-7-5-11-16(18)20/h1-13H.
What are the key properties of bis(2-bromophenyl) phenyl phosphate?
bis(2-bromophenyl) phenyl phosphate has a molecular weight of 484.08 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-bromophenyl) phenyl phosphate is sourced from PubChem (CID 154206613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).