(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol

C21H30NO3P — CID 11906970

IUPAC(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H30NO3P/c1-15(2)17-7-9-18(10-8-17)21(23)26(24,25-16(3)4)20-13-11-19(12-14-20)22(5)6/h7-16,21,23H,1-6H3/t21-,26-/m0/s1
InChIKeyUMBFGWSVXWGLKB-LVXARBLLSA-N
MW375.45 g/mol
LogP4.90
Rot. Bonds7

About (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol

(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol (PubChem CID 11906970) has the molecular formula C21H30NO3P and a molecular weight of 375.45 g/mol. Its IUPAC name is (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol
PubChem CID11906970
Molecular FormulaC21H30NO3P
Molecular Weight375.45 g/mol
Exact Mass375.20
IUPAC Name(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C(C)C)cc1
InChIInChI=1S/C21H30NO3P/c1-15(2)17-7-9-18(10-8-17)21(23)26(24,25-16(3)4)20-13-11-19(12-14-20)22(5)6/h7-16,21,23H,1-6H3/t21-,26-/m0/s1
InChIKeyUMBFGWSVXWGLKB-LVXARBLLSA-N
XLogP4.90
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)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

(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 3470225
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 11862807
(R)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11862835
[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol
CID 4527882
(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol
CID 11860770
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol
CID 11863273
4-[[anilino-(4-propan-2-ylphenyl)methyl]-propan-2-yloxyphosphoryl]-N,N-dimethylaniline
CID 3328597
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
CID 11860745
(R)-(2,4-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 11863029
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
CID 11862972
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol
CID 11860785

Frequently Asked Questions

What is the IUPAC name of (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol?
The IUPAC name of (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol (CID 11906970) is (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol is CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(C(C)C)cc1.
What is the InChIKey of (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol?
The InChIKey is UMBFGWSVXWGLKB-LVXARBLLSA-N. The full InChI is InChI=1S/C21H30NO3P/c1-15(2)17-7-9-18(10-8-17)21(23)26(24,25-16(3)4)20-13-11-19(12-14-20)22(5)6/h7-16,21,23H,1-6H3/t21-,26-/m0/s1.
What are the key properties of (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol?
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 375.45 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 11906970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).