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

C20H27N2O3P — CID 3844421

IUPAC[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol
SMILESCN(C)c1ccc(P(=O)(OC2CCCCC2)C(O)c2ccccn2)cc1
InChIInChI=1S/C20H27N2O3P/c1-22(2)16-11-13-18(14-12-16)26(24,25-17-8-4-3-5-9-17)20(23)19-10-6-7-15-21-19/h6-7,10-15,17,20,23H,3-5,8-9H2,1-2H3
InChIKeyGCMIHAVVZNZNBT-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.09
Rot. Bonds6

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

[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol (PubChem CID 3844421) has the molecular formula C20H27N2O3P and a molecular weight of 374.42 g/mol. Its IUPAC name is [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol
PubChem CID3844421
Molecular FormulaC20H27N2O3P
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol
SMILESCN(C)c1ccc(P(=O)(OC2CCCCC2)C(O)c2ccccn2)cc1
InChIInChI=1S/C20H27N2O3P/c1-22(2)16-11-13-18(14-12-16)26(24,25-17-8-4-3-5-9-17)20(23)19-10-6-7-15-21-19/h6-7,10-15,17,20,23H,3-5,8-9H2,1-2H3
InChIKeyGCMIHAVVZNZNBT-UHFFFAOYSA-N
XLogP4.09
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol?
The IUPAC name of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol (CID 3844421) is [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol.
What is the SMILES notation for [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol?
The canonical SMILES for [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol is CN(C)c1ccc(P(=O)(OC2CCCCC2)C(O)c2ccccn2)cc1.
What is the InChIKey of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol?
The InChIKey is GCMIHAVVZNZNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N2O3P/c1-22(2)16-11-13-18(14-12-16)26(24,25-17-8-4-3-5-9-17)20(23)19-10-6-7-15-21-19/h6-7,10-15,17,20,23H,3-5,8-9H2,1-2H3.
What are the key properties of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol?
[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol has a molecular weight of 374.42 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-pyridin-2-ylmethanol is sourced from PubChem (CID 3844421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).