[2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium

C24H26O3P+ — CID 70592726

IUPAC[2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium
SMILESCC(C)c1ccccc1-c1cccc(O[P+](=O)O)c1-c1ccccc1C(C)C
InChIInChI=1S/C24H25O3P/c1-16(2)18-10-5-7-12-20(18)22-14-9-15-23(27-28(25)26)24(22)21-13-8-6-11-19(21)17(3)4/h5-17H,1-4H3/p+1
InChIKeyQMMQESYJUAYMTN-UHFFFAOYSA-O
MW393.44 g/mol
LogP7.30
Rot. Bonds6

About [2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium

[2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium (PubChem CID 70592726) has the molecular formula C24H26O3P+ and a molecular weight of 393.44 g/mol. Its IUPAC name is [2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium
PubChem CID70592726
Molecular FormulaC24H26O3P+
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium
SMILESCC(C)c1ccccc1-c1cccc(O[P+](=O)O)c1-c1ccccc1C(C)C
InChIInChI=1S/C24H25O3P/c1-16(2)18-10-5-7-12-20(18)22-14-9-15-23(27-28(25)26)24(22)21-13-8-6-11-19(21)17(3)4/h5-17H,1-4H3/p+1
InChIKeyQMMQESYJUAYMTN-UHFFFAOYSA-O
XLogP7.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.44
LogP ≤ 57.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium?
The IUPAC name of [2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium (CID 70592726) is [2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium is CC(C)c1ccccc1-c1cccc(O[P+](=O)O)c1-c1ccccc1C(C)C.
What is the InChIKey of [2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium?
The InChIKey is QMMQESYJUAYMTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H25O3P/c1-16(2)18-10-5-7-12-20(18)22-14-9-15-23(27-28(25)26)24(22)21-13-8-6-11-19(21)17(3)4/h5-17H,1-4H3/p+1.
What are the key properties of [2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium?
[2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium has a molecular weight of 393.44 g/mol, XLogP of 7.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(2-propan-2-ylphenyl)phenoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 70592726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).