2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol

C20H19O3P — CID 155445648

IUPAC2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
SMILESOC(O)(O)Cc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19O3P/c21-20(22,23)15-16-9-7-8-14-19(16)24(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14,21-23H,15H2
InChIKeySVNMAVLISBBSBO-UHFFFAOYSA-N
MW338.34 g/mol
LogP1.62
Rot. Bonds5

About 2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol

2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol (PubChem CID 155445648) has the molecular formula C20H19O3P and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol.

Molecular Properties

Compound Name2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
PubChem CID155445648
Molecular FormulaC20H19O3P
Molecular Weight338.34 g/mol
Exact Mass338.11
IUPAC Name2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol
SMILESOC(O)(O)Cc1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H19O3P/c21-20(22,23)15-16-9-7-8-14-19(16)24(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14,21-23H,15H2
InChIKeySVNMAVLISBBSBO-UHFFFAOYSA-N
XLogP1.62
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

lithium (2-diphenylphosphanylphenyl)methanolate
CID 102445042
2-(2-diphenylphosphanylphenyl)ethanol;hydrochloride
CID 172741972
[2-(chloromethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172706250
(2-ethylphenyl)-diphenylphosphane;hydrobromide
CID 172692670
2-[2-[[2-(carboxymethyl)phenyl]-phenylphosphanyl]phenyl]acetic acid
CID 101007725
[2-(iodomethyl)phenyl]-diphenylphosphane;hydroiodide
CID 172706183
[2-(3-bromoprop-2-enyl)phenyl]-diphenylphosphane
CID 175898296
(2-diphenylphosphanylphenyl)methyl-hydroxy-oxophosphanium
CID 22447243
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
[2-(methoxymethyl)phenyl]-diphenylphosphane;hydrochloride
CID 172850190
(2-pentylphenyl)-diphenylphosphane
CID 22731138
(2-butylphenyl)-diphenylphosphane;hydrobromide
CID 173070100

Frequently Asked Questions

What is the IUPAC name of 2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol?
The IUPAC name of 2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol (CID 155445648) is 2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol.
What is the SMILES notation for 2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol?
The canonical SMILES for 2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol is OC(O)(O)Cc1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol?
The InChIKey is SVNMAVLISBBSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19O3P/c21-20(22,23)15-16-9-7-8-14-19(16)24(17-10-3-1-4-11-17)18-12-5-2-6-13-18/h1-14,21-23H,15H2.
What are the key properties of 2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol?
2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol has a molecular weight of 338.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphanylphenyl)ethane-1,1,1-triol is sourced from PubChem (CID 155445648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).