(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol

C23H26NO4P — CID 11863286

IUPAC(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H26NO4P/c1-24(2)20-11-15-22(16-12-20)29(26,28-17-18-7-5-4-6-8-18)23(25)19-9-13-21(27-3)14-10-19/h4-16,23,25H,17H2,1-3H3/t23-,29+/m0/s1
InChIKeyZBCHVPFBTSZELS-MUAVYFROSA-N
MW411.44 g/mol
LogP4.57
Rot. Bonds8

About (S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol

(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol (PubChem CID 11863286) has the molecular formula C23H26NO4P and a molecular weight of 411.44 g/mol. Its IUPAC name is (S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol
PubChem CID11863286
Molecular FormulaC23H26NO4P
Molecular Weight411.44 g/mol
Exact Mass411.16
IUPAC Name(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol
SMILESCOc1ccc([C@@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H26NO4P/c1-24(2)20-11-15-22(16-12-20)29(26,28-17-18-7-5-4-6-8-18)23(25)19-9-13-21(27-3)14-10-19/h4-16,23,25H,17H2,1-3H3/t23-,29+/m0/s1
InChIKeyZBCHVPFBTSZELS-MUAVYFROSA-N
XLogP4.57
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]methanol
CID 11862751
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863087
bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol
CID 102186412
(1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol
CID 11859839
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
[[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
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
CID 11862972
1-methoxy-4-[phenyl(phenylmethoxy)phosphoryl]benzene
CID 175093390

Frequently Asked Questions

What is the IUPAC name of (S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol?
The IUPAC name of (S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol (CID 11863286) is (S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for (S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol?
The canonical SMILES for (S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol is COc1ccc([C@@H](O)[P@](=O)(OCc2ccccc2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of (S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol?
The InChIKey is ZBCHVPFBTSZELS-MUAVYFROSA-N. The full InChI is InChI=1S/C23H26NO4P/c1-24(2)20-11-15-22(16-12-20)29(26,28-17-18-7-5-4-6-8-18)23(25)19-9-13-21(27-3)14-10-19/h4-16,23,25H,17H2,1-3H3/t23-,29+/m0/s1.
What are the key properties of (S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol?
(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol has a molecular weight of 411.44 g/mol, XLogP of 4.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 11863286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).