2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol

C24H27O3P — CID 138551132

IUPAC2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol
SMILESCc1cc(C)c(C(O)P(c2ccccc2)c2ccccc2)c(C)c1OCCO
InChIInChI=1S/C24H27O3P/c1-17-16-18(2)23(27-15-14-25)19(3)22(17)24(26)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16,24-26H,14-15H2,1-3H3
InChIKeyKPVJSCSFFQOKIG-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.11
Rot. Bonds7

About 2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol

2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol (PubChem CID 138551132) has the molecular formula C24H27O3P and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol.

Molecular Properties

Compound Name2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol
PubChem CID138551132
Molecular FormulaC24H27O3P
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol
SMILESCc1cc(C)c(C(O)P(c2ccccc2)c2ccccc2)c(C)c1OCCO
InChIInChI=1S/C24H27O3P/c1-17-16-18(2)23(27-15-14-25)19(3)22(17)24(26)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16,24-26H,14-15H2,1-3H3
InChIKeyKPVJSCSFFQOKIG-UHFFFAOYSA-N
XLogP4.11
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol 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-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol?
The IUPAC name of 2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol (CID 138551132) is 2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol.
What is the SMILES notation for 2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol?
The canonical SMILES for 2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol is Cc1cc(C)c(C(O)P(c2ccccc2)c2ccccc2)c(C)c1OCCO.
What is the InChIKey of 2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol?
The InChIKey is KPVJSCSFFQOKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O3P/c1-17-16-18(2)23(27-15-14-25)19(3)22(17)24(26)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16,24-26H,14-15H2,1-3H3.
What are the key properties of 2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol?
2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol has a molecular weight of 394.45 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[diphenylphosphanyl(hydroxy)methyl]-2,4,6-trimethylphenoxy]ethanol is sourced from PubChem (CID 138551132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).