5-diphenylphosphanylbenzene-1,2,3,4-tetrol

C18H15O4P — CID 141102911

IUPAC5-diphenylphosphanylbenzene-1,2,3,4-tetrol
SMILESOc1cc(P(c2ccccc2)c2ccccc2)c(O)c(O)c1O
InChIInChI=1S/C18H15O4P/c19-14-11-15(17(21)18(22)16(14)20)23(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,19-22H
InChIKeyJVXDSCFWNKYCMT-UHFFFAOYSA-N
MW326.29 g/mol
LogP2.27
Rot. Bonds3

About 5-diphenylphosphanylbenzene-1,2,3,4-tetrol

5-diphenylphosphanylbenzene-1,2,3,4-tetrol (PubChem CID 141102911) has the molecular formula C18H15O4P and a molecular weight of 326.29 g/mol. Its IUPAC name is 5-diphenylphosphanylbenzene-1,2,3,4-tetrol.

Molecular Properties

Compound Name5-diphenylphosphanylbenzene-1,2,3,4-tetrol
PubChem CID141102911
Molecular FormulaC18H15O4P
Molecular Weight326.29 g/mol
Exact Mass326.07
IUPAC Name5-diphenylphosphanylbenzene-1,2,3,4-tetrol
SMILESOc1cc(P(c2ccccc2)c2ccccc2)c(O)c(O)c1O
InChIInChI=1S/C18H15O4P/c19-14-11-15(17(21)18(22)16(14)20)23(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,19-22H
InChIKeyJVXDSCFWNKYCMT-UHFFFAOYSA-N
XLogP2.27
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.29
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-diphenylphosphanylphenol
CID 88897558
3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 52912463
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
4-diphenylphosphanyl-3-hydroxybenzoic acid
CID 101171286
2-diphenylphosphanyl-6-methoxyphenol
CID 58759318
bis([2-(2-diphenylphosphanylphenyl)phenyl]-diphenylphosphane);hydrate
CID 87203660
triphenylphosphane
CID 139056248
copper(1+);tris(triphenylphosphane);acetate
CID 56954258
palladium(2+);triphenylphosphane;diacetate
CID 11554889
copper(1+);bis(triphenylphosphane);acetate
CID 175797724
gold(3+);triphenylphosphane;triacetate
CID 160881940
2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid
CID 175823616

Frequently Asked Questions

What is the IUPAC name of 5-diphenylphosphanylbenzene-1,2,3,4-tetrol?
The IUPAC name of 5-diphenylphosphanylbenzene-1,2,3,4-tetrol (CID 141102911) is 5-diphenylphosphanylbenzene-1,2,3,4-tetrol.
What is the SMILES notation for 5-diphenylphosphanylbenzene-1,2,3,4-tetrol?
The canonical SMILES for 5-diphenylphosphanylbenzene-1,2,3,4-tetrol is Oc1cc(P(c2ccccc2)c2ccccc2)c(O)c(O)c1O.
What is the InChIKey of 5-diphenylphosphanylbenzene-1,2,3,4-tetrol?
The InChIKey is JVXDSCFWNKYCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O4P/c19-14-11-15(17(21)18(22)16(14)20)23(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11,19-22H.
What are the key properties of 5-diphenylphosphanylbenzene-1,2,3,4-tetrol?
5-diphenylphosphanylbenzene-1,2,3,4-tetrol has a molecular weight of 326.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diphenylphosphanylbenzene-1,2,3,4-tetrol is sourced from PubChem (CID 141102911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).