(2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol

C20H28NO5P — CID 4638637

IUPAC(2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
SMILESCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C20H28NO5P/c1-6-13-26-27(23,17-10-7-15(8-11-17)21(2)3)20(22)18-14-16(24-4)9-12-19(18)25-5/h7-12,14,20,22H,6,13H2,1-5H3
InChIKeyHZNJMBPNMDULHZ-UHFFFAOYSA-N
MW393.42 g/mol
LogP3.79
Rot. Bonds9

About (2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol

(2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol (PubChem CID 4638637) has the molecular formula C20H28NO5P and a molecular weight of 393.42 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
PubChem CID4638637
Molecular FormulaC20H28NO5P
Molecular Weight393.42 g/mol
Exact Mass393.17
IUPAC Name(2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
SMILESCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cc(OC)ccc1OC
InChIInChI=1S/C20H28NO5P/c1-6-13-26-27(23,17-10-7-15(8-11-17)21(2)3)20(22)18-14-16(24-4)9-12-19(18)25-5/h7-12,14,20,22H,6,13H2,1-5H3
InChIKeyHZNJMBPNMDULHZ-UHFFFAOYSA-N
XLogP3.79
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol?
The IUPAC name of (2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol (CID 4638637) is (2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol.
What is the SMILES notation for (2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol?
The canonical SMILES for (2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol is CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cc(OC)ccc1OC.
What is the InChIKey of (2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol?
The InChIKey is HZNJMBPNMDULHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NO5P/c1-6-13-26-27(23,17-10-7-15(8-11-17)21(2)3)20(22)18-14-16(24-4)9-12-19(18)25-5/h7-12,14,20,22H,6,13H2,1-5H3.
What are the key properties of (2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol?
(2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol has a molecular weight of 393.42 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethoxyphenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol is sourced from PubChem (CID 4638637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).