2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene

C44H41O4P — CID 126737195

IUPAC2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene
SMILESC=Cc1ccc(COc2ccc(OCc3ccc(Oc4ccc(CC(C)C)cc4)cc3)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C44H41O4P/c1-4-34-15-17-36(18-16-34)31-46-40-27-28-43(44(30-40)49(45,41-11-7-5-8-12-41)42-13-9-6-10-14-42)47-32-37-21-25-39(26-22-37)48-38-23-19-35(20-24-38)29-33(2)3/h4-28,30,33H,1,29,31-32H2,2-3H3
InChIKeyXQAFRLYUEWZMCU-UHFFFAOYSA-N
MW664.78 g/mol
LogP10.12
Rot. Bonds14

About 2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene

2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene (PubChem CID 126737195) has the molecular formula C44H41O4P and a molecular weight of 664.78 g/mol. Its IUPAC name is 2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene.

Molecular Properties

Compound Name2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene
PubChem CID126737195
Molecular FormulaC44H41O4P
Molecular Weight664.78 g/mol
Exact Mass664.27
IUPAC Name2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene
SMILESC=Cc1ccc(COc2ccc(OCc3ccc(Oc4ccc(CC(C)C)cc4)cc3)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1
InChIInChI=1S/C44H41O4P/c1-4-34-15-17-36(18-16-34)31-46-40-27-28-43(44(30-40)49(45,41-11-7-5-8-12-41)42-13-9-6-10-14-42)47-32-37-21-25-39(26-22-37)48-38-23-19-35(20-24-38)29-33(2)3/h4-28,30,33H,1,29,31-32H2,2-3H3
InChIKeyXQAFRLYUEWZMCU-UHFFFAOYSA-N
XLogP10.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.78
LogP ≤ 510.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene 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-(2-methylpropyl)phenyl]methoxy]phenol
CID 126736428
1-ethenyl-4-(2-methylpropyl)benzene;propanal
CID 157417847
N-[diethoxyphosphoryl-[3-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 132582180
1-diphenylphosphoryl-4-phenylmethoxybenzene
CID 86086109
2-diphenylphosphoryl-1,4-dimethoxybenzene
CID 15129135
3-[(4-ethenylphenyl)methoxy]-N-phenylaniline
CID 22052676
3-[(4-ethenylphenyl)methoxy]benzoic acid
CID 168678013
N-[diethoxyphosphoryl-[4-[(4-ethenylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 132582179
methylidene-bis[4-(2-methylpropyl)phenoxy]-phenyl-λ5-phosphane
CID 87668570
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
4-ethenyl-1-[1-[3-[2-(4-ethenyl-2-phenylmethoxyphenyl)propyl]phenyl]propan-2-yl]-2-phenylmethoxybenzene
CID 139603519

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene?
The IUPAC name of 2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene (CID 126737195) is 2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene.
What is the SMILES notation for 2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene?
The canonical SMILES for 2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene is C=Cc1ccc(COc2ccc(OCc3ccc(Oc4ccc(CC(C)C)cc4)cc3)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1.
What is the InChIKey of 2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene?
The InChIKey is XQAFRLYUEWZMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H41O4P/c1-4-34-15-17-36(18-16-34)31-46-40-27-28-43(44(30-40)49(45,41-11-7-5-8-12-41)42-13-9-6-10-14-42)47-32-37-21-25-39(26-22-37)48-38-23-19-35(20-24-38)29-33(2)3/h4-28,30,33H,1,29,31-32H2,2-3H3.
What are the key properties of 2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene?
2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene has a molecular weight of 664.78 g/mol, XLogP of 10.12, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-4-[(4-ethenylphenyl)methoxy]-1-[[4-[4-(2-methylpropyl)phenoxy]phenyl]methoxy]benzene is sourced from PubChem (CID 126737195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).