[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol

C18H25N2O3P — CID 3373675

IUPAC[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol
SMILESCCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cccnc1
InChIInChI=1S/C18H25N2O3P/c1-4-5-13-23-24(22,18(21)15-7-6-12-19-14-15)17-10-8-16(9-11-17)20(2)3/h6-12,14,18,21H,4-5,13H2,1-3H3
InChIKeyYCGWMPKCZMOVAE-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.56
Rot. Bonds8

About [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol

[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol (PubChem CID 3373675) has the molecular formula C18H25N2O3P and a molecular weight of 348.38 g/mol. Its IUPAC name is [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol
PubChem CID3373675
Molecular FormulaC18H25N2O3P
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Name[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol
SMILESCCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cccnc1
InChIInChI=1S/C18H25N2O3P/c1-4-5-13-23-24(22,18(21)15-7-6-12-19-14-15)17-10-8-16(9-11-17)20(2)3/h6-12,14,18,21H,4-5,13H2,1-3H3
InChIKeyYCGWMPKCZMOVAE-UHFFFAOYSA-N
XLogP3.56
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol?
The IUPAC name of [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol (CID 3373675) is [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol.
What is the SMILES notation for [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol?
The canonical SMILES for [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol is CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cccnc1.
What is the InChIKey of [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol?
The InChIKey is YCGWMPKCZMOVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N2O3P/c1-4-5-13-23-24(22,18(21)15-7-6-12-19-14-15)17-10-8-16(9-11-17)20(2)3/h6-12,14,18,21H,4-5,13H2,1-3H3.
What are the key properties of [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol?
[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol has a molecular weight of 348.38 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [butoxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-3-ylmethanol is sourced from PubChem (CID 3373675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).