(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol

C18H25N2O3P — CID 11860785

IUPAC(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol
SMILESCC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccncc1
InChIInChI=1S/C18H25N2O3P/c1-14(2)13-23-24(22,18(21)15-9-11-19-12-10-15)17-7-5-16(6-8-17)20(3)4/h5-12,14,18,21H,13H2,1-4H3/t18-,24+/m1/s1
InChIKeyWWNLPOUMVHJLMA-KOSHJBKYSA-N
MW348.38 g/mol
LogP3.41
Rot. Bonds7

About (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol

(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol (PubChem CID 11860785) has the molecular formula C18H25N2O3P and a molecular weight of 348.38 g/mol. Its IUPAC name is (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol.

Molecular Properties

Compound Name(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol
PubChem CID11860785
Molecular FormulaC18H25N2O3P
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol
SMILESCC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccncc1
InChIInChI=1S/C18H25N2O3P/c1-14(2)13-23-24(22,18(21)15-9-11-19-12-10-15)17-7-5-16(6-8-17)20(3)4/h5-12,14,18,21H,13H2,1-4H3/t18-,24+/m1/s1
InChIKeyWWNLPOUMVHJLMA-KOSHJBKYSA-N
XLogP3.41
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.41
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-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-3-ylmethanol
CID 11860720
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-2-ylmethanol
CID 11876280
bis(2-methylpropoxy)phosphoryl-pyridin-4-ylmethanol
CID 18859992
[[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
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
CID 11860745
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221
(S)-[[4-(dimethylamino)phenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-4-ylmethanol
CID 11881737
(S)-[[4-(dimethylamino)phenyl]-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-4-ylmethanol
CID 98376985

Frequently Asked Questions

What is the IUPAC name of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol?
The IUPAC name of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol (CID 11860785) is (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol.
What is the SMILES notation for (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol?
The canonical SMILES for (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol is CC(C)CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccncc1.
What is the InChIKey of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol?
The InChIKey is WWNLPOUMVHJLMA-KOSHJBKYSA-N. The full InChI is InChI=1S/C18H25N2O3P/c1-14(2)13-23-24(22,18(21)15-9-11-19-12-10-15)17-7-5-16(6-8-17)20(3)4/h5-12,14,18,21H,13H2,1-4H3/t18-,24+/m1/s1.
What are the key properties of (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol?
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol has a molecular weight of 348.38 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-pyridin-4-ylmethanol is sourced from PubChem (CID 11860785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).