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

C18H22Cl2NO3P — CID 662342

IUPAC(2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
SMILESCC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H22Cl2NO3P/c1-12(2)24-25(23,14-10-8-13(9-11-14)21(3)4)18(22)17-15(19)6-5-7-16(17)20/h5-12,18,22H,1-4H3
InChIKeyDNWXOKAEYHYWCF-UHFFFAOYSA-N
MW402.26 g/mol
LogP5.08
Rot. Bonds6

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

(2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol (PubChem CID 662342) has the molecular formula C18H22Cl2NO3P and a molecular weight of 402.26 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
PubChem CID662342
Molecular FormulaC18H22Cl2NO3P
Molecular Weight402.26 g/mol
Exact Mass401.07
IUPAC Name(2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
SMILESCC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl
InChIInChI=1S/C18H22Cl2NO3P/c1-12(2)24-25(23,14-10-8-13(9-11-14)21(3)4)18(22)17-15(19)6-5-7-16(17)20/h5-12,18,22H,1-4H3
InChIKeyDNWXOKAEYHYWCF-UHFFFAOYSA-N
XLogP5.08
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.26
LogP ≤ 55.08
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]-propan-2-yloxyphosphoryl]methanol?
The IUPAC name of (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol (CID 662342) is (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol.
What is the SMILES notation for (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol?
The canonical SMILES for (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol is CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol?
The InChIKey is DNWXOKAEYHYWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2NO3P/c1-12(2)24-25(23,14-10-8-13(9-11-14)21(3)4)18(22)17-15(19)6-5-7-16(17)20/h5-12,18,22H,1-4H3.
What are the key properties of (2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol?
(2,6-dichlorophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol has a molecular weight of 402.26 g/mol, XLogP of 5.08, 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]-propan-2-yloxyphosphoryl]methanol is sourced from PubChem (CID 662342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).