2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol

C24H27O3P — CID 58660014

IUPAC2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol
SMILESCOc1ccccc1P(c1ccccc1OC)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C24H27O3P/c1-24(2,3)17-11-10-16-22(23(17)25)28(20-14-8-6-12-18(20)26-4)21-15-9-7-13-19(21)27-5/h6-16,25H,1-5H3
InChIKeyQWWNHWHZKHJMOA-UHFFFAOYSA-N
MW394.45 g/mol
LogP4.47
Rot. Bonds5

About 2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol

2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol (PubChem CID 58660014) has the molecular formula C24H27O3P and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol.

Molecular Properties

Compound Name2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol
PubChem CID58660014
Molecular FormulaC24H27O3P
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC Name2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol
SMILESCOc1ccccc1P(c1ccccc1OC)c1cccc(C(C)(C)C)c1O
InChIInChI=1S/C24H27O3P/c1-24(2,3)17-11-10-16-22(23(17)25)28(20-14-8-6-12-18(20)26-4)21-15-9-7-13-19(21)27-5/h6-16,25H,1-5H3
InChIKeyQWWNHWHZKHJMOA-UHFFFAOYSA-N
XLogP4.47
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol 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-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol?
The IUPAC name of 2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol (CID 58660014) is 2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol.
What is the SMILES notation for 2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol?
The canonical SMILES for 2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol is COc1ccccc1P(c1ccccc1OC)c1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol?
The InChIKey is QWWNHWHZKHJMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27O3P/c1-24(2,3)17-11-10-16-22(23(17)25)28(20-14-8-6-12-18(20)26-4)21-15-9-7-13-19(21)27-5/h6-16,25H,1-5H3.
What are the key properties of 2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol?
2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol has a molecular weight of 394.45 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2-methoxyphenyl)phosphanyl-6-tert-butylphenol is sourced from PubChem (CID 58660014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).