[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol

C19H26NO3P — CID 3709375

IUPAC[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol
SMILESCC(C)COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C19H26NO3P/c1-15(2)14-23-24(22,19(21)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
InChIKeyPUKRBRHXTDIWEJ-UHFFFAOYSA-N
MW347.40 g/mol
LogP4.02
Rot. Bonds7

About [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol

[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol (PubChem CID 3709375) has the molecular formula C19H26NO3P and a molecular weight of 347.40 g/mol. Its IUPAC name is [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol.

Molecular Properties

Compound Name[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol
PubChem CID3709375
Molecular FormulaC19H26NO3P
Molecular Weight347.40 g/mol
Exact Mass347.17
IUPAC Name[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol
SMILESCC(C)COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1
InChIInChI=1S/C19H26NO3P/c1-15(2)14-23-24(22,19(21)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
InChIKeyPUKRBRHXTDIWEJ-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol 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 [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol?
The IUPAC name of [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol (CID 3709375) is [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol.
What is the SMILES notation for [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol?
The canonical SMILES for [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol is CC(C)COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1.
What is the InChIKey of [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol?
The InChIKey is PUKRBRHXTDIWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26NO3P/c1-15(2)14-23-24(22,19(21)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.
What are the key properties of [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol?
[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol has a molecular weight of 347.40 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-phenylmethanol is sourced from PubChem (CID 3709375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).