(R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol

C20H28NO6P — CID 11863070

IUPAC(R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H28NO6P/c1-7-27-28(23,16-10-8-15(9-11-16)21(2)3)20(22)14-12-17(24-4)19(26-6)18(13-14)25-5/h8-13,20,22H,7H2,1-6H3/t20-,28+/m1/s1
InChIKeyQNJGCBSAJXWUHN-NGOKVRLYSA-N
MW409.42 g/mol
LogP3.41
Rot. Bonds9

About (R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol

(R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 11863070) has the molecular formula C20H28NO6P and a molecular weight of 409.42 g/mol. Its IUPAC name is (R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
PubChem CID11863070
Molecular FormulaC20H28NO6P
Molecular Weight409.42 g/mol
Exact Mass409.17
IUPAC Name(R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H28NO6P/c1-7-27-28(23,16-10-8-15(9-11-16)21(2)3)20(22)14-12-17(24-4)19(26-6)18(13-14)25-5/h8-13,20,22H,7H2,1-6H3/t20-,28+/m1/s1
InChIKeyQNJGCBSAJXWUHN-NGOKVRLYSA-N
XLogP3.41
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11876273
(R)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11862835
(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11863321
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
CID 11860745
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4-dimethoxyphenyl)methanol
CID 11862953
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863087
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-methoxyphenyl)methanol
CID 11863010
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
(R)-[[4-(dimethylamino)phenyl]-(2-methylpropoxy)phosphoryl]-(2-methoxyphenyl)methanol
CID 11862713
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol
CID 11860770
(S)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863286

Frequently Asked Questions

What is the IUPAC name of (R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol (CID 11863070) is (R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol is CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is QNJGCBSAJXWUHN-NGOKVRLYSA-N. The full InChI is InChI=1S/C20H28NO6P/c1-7-27-28(23,16-10-8-15(9-11-16)21(2)3)20(22)14-12-17(24-4)19(26-6)18(13-14)25-5/h8-13,20,22H,7H2,1-6H3/t20-,28+/m1/s1.
What are the key properties of (R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
(R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 409.42 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 11863070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).