2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid

C18H18O6P2 — CID 175823616

IUPAC2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid
SMILESO=P(O)(O)O.Oc1ccccc1P(c1ccccc1)c1ccccc1O
InChIInChI=1S/C18H15O2P.H3O4P/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20;1-5(2,3)4/h1-13,19-20H;(H3,1,2,3,4)
InChIKeyFZGKIVWLPVHFNE-UHFFFAOYSA-N
MW392.28 g/mol
LogP1.93
Rot. Bonds3

About 2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid

2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid (PubChem CID 175823616) has the molecular formula C18H18O6P2 and a molecular weight of 392.28 g/mol. Its IUPAC name is 2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid.

Molecular Properties

Compound Name2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid
PubChem CID175823616
Molecular FormulaC18H18O6P2
Molecular Weight392.28 g/mol
Exact Mass392.06
IUPAC Name2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid
SMILESO=P(O)(O)O.Oc1ccccc1P(c1ccccc1)c1ccccc1O
InChIInChI=1S/C18H15O2P.H3O4P/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20;1-5(2,3)4/h1-13,19-20H;(H3,1,2,3,4)
InChIKeyFZGKIVWLPVHFNE-UHFFFAOYSA-N
XLogP1.93
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 51.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl(phenyl)phosphanyl]phenol
CID 11820610
2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
CID 101007725
phenol;phosphoric acid
CID 157339539
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
4-diphenylphosphanyl-3-hydroxybenzoic acid
CID 101171286
carbanide;platinum(2+);bis(triphenylphosphane)
CID 11007152
triphenylphosphane
CID 139056248
4-chloro-2-diphenylphosphanylphenol
CID 88897558
carbonyl dichloride;bis(triphenylphosphane)
CID 87775041
carbonic acid;phenol;phosphoric acid
CID 70560640
5-diphenylphosphanylbenzene-1,2,3,4-tetrol
CID 141102911
nickel;tetrakis(triphenylphosphane)
CID 161328494

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid?
The IUPAC name of 2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid (CID 175823616) is 2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid.
What is the SMILES notation for 2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid?
The canonical SMILES for 2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid is O=P(O)(O)O.Oc1ccccc1P(c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid?
The InChIKey is FZGKIVWLPVHFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15O2P.H3O4P/c19-15-10-4-6-12-17(15)21(14-8-2-1-3-9-14)18-13-7-5-11-16(18)20;1-5(2,3)4/h1-13,19-20H;(H3,1,2,3,4).
What are the key properties of 2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid?
2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid has a molecular weight of 392.28 g/mol, XLogP of 1.93, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyphenyl)-phenylphosphanyl]phenol;phosphoric acid is sourced from PubChem (CID 175823616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).