bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol

C23H26NO4P — CID 102186412

IUPACbis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)P(=O)(OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C23H26NO4P/c1-24(2)22-15-13-21(14-16-22)23(25)29(26,27-17-19-9-5-3-6-10-19)28-18-20-11-7-4-8-12-20/h3-16,23,25H,17-18H2,1-2H3
InChIKeyRLBJJEJIWAOZEN-UHFFFAOYSA-N
MW411.44 g/mol
LogP5.37
Rot. Bonds9

About bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol

bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol (PubChem CID 102186412) has the molecular formula C23H26NO4P and a molecular weight of 411.44 g/mol. Its IUPAC name is bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol.

Molecular Properties

Compound Namebis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol
PubChem CID102186412
Molecular FormulaC23H26NO4P
Molecular Weight411.44 g/mol
Exact Mass411.16
IUPAC Namebis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol
SMILESCN(C)c1ccc(C(O)P(=O)(OCc2ccccc2)OCc2ccccc2)cc1
InChIInChI=1S/C23H26NO4P/c1-24(2)22-15-13-21(14-16-22)23(25)29(26,27-17-19-9-5-3-6-10-19)28-18-20-11-7-4-8-12-20/h3-16,23,25H,17-18H2,1-2H3
InChIKeyRLBJJEJIWAOZEN-UHFFFAOYSA-N
XLogP5.37
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.44
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol 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

(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]methanol
CID 11862751
(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863286
methyl 4-[bis(phenylmethoxy)phosphoryl-hydroxymethyl]benzoate
CID 102186420
(1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol
CID 11859839
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
[[4-(dimethylamino)phenyl]-hydroxymethyl]phosphonic acid
CID 19356884
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
CID 11860745
[phenylmethoxy(2,2,4,4-tetramethylpentan-3-yl)phosphoryl]oxymethylbenzene
CID 173485287
1-bis(phenylmethoxy)phosphorylethanone
CID 12524609
(1S)-1-bis(phenylmethoxy)phosphoryl-2-methylpropan-1-amine
CID 134924285

Frequently Asked Questions

What is the IUPAC name of bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol?
The IUPAC name of bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol (CID 102186412) is bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol.
What is the SMILES notation for bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol?
The canonical SMILES for bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol is CN(C)c1ccc(C(O)P(=O)(OCc2ccccc2)OCc2ccccc2)cc1.
What is the InChIKey of bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol?
The InChIKey is RLBJJEJIWAOZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26NO4P/c1-24(2)22-15-13-21(14-16-22)23(25)29(26,27-17-19-9-5-3-6-10-19)28-18-20-11-7-4-8-12-20/h3-16,23,25H,17-18H2,1-2H3.
What are the key properties of bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol?
bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol has a molecular weight of 411.44 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol is sourced from PubChem (CID 102186412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).