2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol

C29H29O3P — CID 126736428

IUPAC2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol
SMILESCC(C)Cc1ccc(COc2ccc(O)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C29H29O3P/c1-22(2)19-23-13-15-24(16-14-23)21-32-25-17-18-28(30)29(20-25)33(31,26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-18,20,22,30H,19,21H2,1-2H3
InChIKeyHKOGNIMNUYAJLQ-UHFFFAOYSA-N
MW456.52 g/mol
LogP5.81
Rot. Bonds8

About 2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol

2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol (PubChem CID 126736428) has the molecular formula C29H29O3P and a molecular weight of 456.52 g/mol. Its IUPAC name is 2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol.

Molecular Properties

Compound Name2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol
PubChem CID126736428
Molecular FormulaC29H29O3P
Molecular Weight456.52 g/mol
Exact Mass456.19
IUPAC Name2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol
SMILESCC(C)Cc1ccc(COc2ccc(O)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C29H29O3P/c1-22(2)19-23-13-15-24(16-14-23)21-32-25-17-18-28(30)29(20-25)33(31,26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-18,20,22,30H,19,21H2,1-2H3
InChIKeyHKOGNIMNUYAJLQ-UHFFFAOYSA-N
XLogP5.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.52
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene
CID 126737195
1-diphenylphosphoryl-4-phenylmethoxybenzene
CID 86086109
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid
CID 139610039
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
methylidene-bis[4-(2-methylpropyl)phenoxy]-phenyl-λ5-phosphane
CID 87668570
5-[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]pentanoic acid
CID 139921983
1-[4-(4-phenylmethoxyphenyl)phenyl]propan-2-ol
CID 18927881
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
butan-2-ylbenzene;4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 158505754
1-chloro-3-methyl-4-(4-phenylmethoxyphenyl)butan-2-one
CID 90999211

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol?
The IUPAC name of 2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol (CID 126736428) is 2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol.
What is the SMILES notation for 2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol?
The canonical SMILES for 2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol is CC(C)Cc1ccc(COc2ccc(O)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol?
The InChIKey is HKOGNIMNUYAJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29O3P/c1-22(2)19-23-13-15-24(16-14-23)21-32-25-17-18-28(30)29(20-25)33(31,26-9-5-3-6-10-26)27-11-7-4-8-12-27/h3-18,20,22,30H,19,21H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol?
2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol has a molecular weight of 456.52 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-4-[[4-(2-methylpropyl)phenyl]methoxy]phenol is sourced from PubChem (CID 126736428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).