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

C21H30NO6P — CID 11876273

IUPAC(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H30NO6P/c1-7-12-28-29(24,17-10-8-16(9-11-17)22(2)3)21(23)15-13-18(25-4)20(27-6)19(14-15)26-5/h8-11,13-14,21,23H,7,12H2,1-6H3/t21-,29+/m1/s1
InChIKeyICXKINBIPDENML-PBBNMVCDSA-N
MW423.45 g/mol
LogP3.80
Rot. Bonds10

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

(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 11876273) has the molecular formula C21H30NO6P and a molecular weight of 423.45 g/mol. Its IUPAC name is (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
PubChem CID11876273
Molecular FormulaC21H30NO6P
Molecular Weight423.45 g/mol
Exact Mass423.18
IUPAC Name(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C21H30NO6P/c1-7-12-28-29(24,17-10-8-16(9-11-17)22(2)3)21(23)15-13-18(25-4)20(27-6)19(14-15)26-5/h8-11,13-14,21,23H,7,12H2,1-6H3/t21-,29+/m1/s1
InChIKeyICXKINBIPDENML-PBBNMVCDSA-N
XLogP3.80
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.80
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]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11863070
(R)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11862835
(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)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11863321
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
CID 11862972
[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(2-fluorophenyl)methanol
CID 3786964
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
CID 11860745

Frequently Asked Questions

What is the IUPAC name of (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol (CID 11876273) is (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol is CCCO[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]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is ICXKINBIPDENML-PBBNMVCDSA-N. The full InChI is InChI=1S/C21H30NO6P/c1-7-12-28-29(24,17-10-8-16(9-11-17)22(2)3)21(23)15-13-18(25-4)20(27-6)19(14-15)26-5/h8-11,13-14,21,23H,7,12H2,1-6H3/t21-,29+/m1/s1.
What are the key properties of (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 423.45 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 11876273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).