(2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol

C17H20Cl2NO3P — CID 662294

IUPAC(2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol
SMILESCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H20Cl2NO3P/c1-4-23-24(22,13-10-8-12(9-11-13)20(2)3)17(21)16-14(18)6-5-7-15(16)19/h5-11,17,21H,4H2,1-3H3
InChIKeyPIKNGVJZUILGDT-UHFFFAOYSA-N
MW388.23 g/mol
LogP4.69
Rot. Bonds6

About (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol

(2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol (PubChem CID 662294) has the molecular formula C17H20Cl2NO3P and a molecular weight of 388.23 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol
PubChem CID662294
Molecular FormulaC17H20Cl2NO3P
Molecular Weight388.23 g/mol
Exact Mass387.06
IUPAC Name(2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol
SMILESCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C17H20Cl2NO3P/c1-4-23-24(22,13-10-8-12(9-11-13)20(2)3)17(21)16-14(18)6-5-7-15(16)19/h5-11,17,21H,4H2,1-3H3
InChIKeyPIKNGVJZUILGDT-UHFFFAOYSA-N
XLogP4.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.23
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol?
The IUPAC name of (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol (CID 662294) is (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol.
What is the SMILES notation for (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol?
The canonical SMILES for (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol is CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol?
The InChIKey is PIKNGVJZUILGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2NO3P/c1-4-23-24(22,13-10-8-12(9-11-13)20(2)3)17(21)16-14(18)6-5-7-15(16)19/h5-11,17,21H,4H2,1-3H3.
What are the key properties of (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol?
(2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol has a molecular weight of 388.23 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]methanol is sourced from PubChem (CID 662294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).