[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol

C17H23N2O3P — CID 3796280

IUPAC[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol
SMILESCC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1cccnc1
InChIInChI=1S/C17H23N2O3P/c1-13(2)22-23(21,17(20)14-6-5-11-18-12-14)16-9-7-15(8-10-16)19(3)4/h5-13,17,20H,1-4H3
InChIKeyVVUWOJCEYXZYTL-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.17
Rot. Bonds6

About [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol

[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol (PubChem CID 3796280) has the molecular formula C17H23N2O3P and a molecular weight of 334.36 g/mol. Its IUPAC name is [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol
PubChem CID3796280
Molecular FormulaC17H23N2O3P
Molecular Weight334.36 g/mol
Exact Mass334.14
IUPAC Name[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol
SMILESCC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1cccnc1
InChIInChI=1S/C17H23N2O3P/c1-13(2)22-23(21,17(20)14-6-5-11-18-12-14)16-9-7-15(8-10-16)19(3)4/h5-13,17,20H,1-4H3
InChIKeyVVUWOJCEYXZYTL-UHFFFAOYSA-N
XLogP3.17
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol?
The IUPAC name of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol (CID 3796280) is [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol.
What is the SMILES notation for [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol?
The canonical SMILES for [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol is CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1cccnc1.
What is the InChIKey of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol?
The InChIKey is VVUWOJCEYXZYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N2O3P/c1-13(2)22-23(21,17(20)14-6-5-11-18-12-14)16-9-7-15(8-10-16)19(3)4/h5-13,17,20H,1-4H3.
What are the key properties of [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol?
[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol has a molecular weight of 334.36 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-pyridin-3-ylmethanol is sourced from PubChem (CID 3796280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).