(1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol

C19H26NO3P — CID 11859839

IUPAC(1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)[P@@](=O)(OCc1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H26NO3P/c1-15(2)19(21)24(22,23-14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)20(3)4/h5-13,15,19,21H,14H2,1-4H3/t19-,24-/m0/s1
InChIKeyZHRFEFSAGNFATC-CYFREDJKSA-N
MW347.40 g/mol
LogP3.85
Rot. Bonds7

About (1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol

(1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol (PubChem CID 11859839) has the molecular formula C19H26NO3P and a molecular weight of 347.40 g/mol. Its IUPAC name is (1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol
PubChem CID11859839
Molecular FormulaC19H26NO3P
Molecular Weight347.40 g/mol
Exact Mass347.17
IUPAC Name(1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol
SMILESCC(C)[C@@H](O)[P@@](=O)(OCc1ccccc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C19H26NO3P/c1-15(2)19(21)24(22,23-14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)20(3)4/h5-13,15,19,21H,14H2,1-4H3/t19-,24-/m0/s1
InChIKeyZHRFEFSAGNFATC-CYFREDJKSA-N
XLogP3.85
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863286
bis(phenylmethoxy)phosphoryl-[4-(dimethylamino)phenyl]methanol
CID 102186412
(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
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol
CID 11862713
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol
CID 11876280
4-[[(R)-anilino(phenyl)methyl]-(2-methylpropoxy)phosphoryl]-N,N-dimethylaniline
CID 11862710
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
CID 11863010
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol
CID 11860785
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(2-fluorophenyl)methanol
CID 11863273

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol?
The IUPAC name of (1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol (CID 11859839) is (1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol.
What is the SMILES notation for (1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol?
The canonical SMILES for (1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol is CC(C)[C@@H](O)[P@@](=O)(OCc1ccccc1)c1ccc(N(C)C)cc1.
What is the InChIKey of (1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol?
The InChIKey is ZHRFEFSAGNFATC-CYFREDJKSA-N. The full InChI is InChI=1S/C19H26NO3P/c1-15(2)19(21)24(22,23-14-16-8-6-5-7-9-16)18-12-10-17(11-13-18)20(3)4/h5-13,15,19,21H,14H2,1-4H3/t19-,24-/m0/s1.
What are the key properties of (1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol?
(1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol has a molecular weight of 347.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-2-methylpropan-1-ol is sourced from PubChem (CID 11859839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).