(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol

C16H19ClNO3P — CID 11860770

IUPAC(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol
SMILESCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClNO3P/c1-18(2)14-8-10-15(11-9-14)22(20,21-3)16(19)12-4-6-13(17)7-5-12/h4-11,16,19H,1-3H3/t16-,22+/m1/s1
InChIKeyJSRCZLMHWBGHFK-ZHRRBRCNSA-N
MW339.76 g/mol
LogP3.65
Rot. Bonds5

About (R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol

(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol (PubChem CID 11860770) has the molecular formula C16H19ClNO3P and a molecular weight of 339.76 g/mol. Its IUPAC name is (R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol.

Molecular Properties

Compound Name(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol
PubChem CID11860770
Molecular FormulaC16H19ClNO3P
Molecular Weight339.76 g/mol
Exact Mass339.08
IUPAC Name(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol
SMILESCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClNO3P/c1-18(2)14-8-10-15(11-9-14)22(20,21-3)16(19)12-4-6-13(17)7-5-12/h4-11,16,19H,1-3H3/t16-,22+/m1/s1
InChIKeyJSRCZLMHWBGHFK-ZHRRBRCNSA-N
XLogP3.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.76
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-chlorophenyl)methanol
CID 11862972
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol
CID 11906970
(R)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]-pyridin-3-ylmethanol
CID 11860680
(S)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(4-methoxyphenyl)methanol
CID 11863087
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863218
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]methanol
CID 11863221
(S)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(4-methylphenyl)methanol
CID 11860745
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 3470225
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 11862807
[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol
CID 4527882
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11876273

Frequently Asked Questions

What is the IUPAC name of (R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol?
The IUPAC name of (R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol (CID 11860770) is (R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol.
What is the SMILES notation for (R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol?
The canonical SMILES for (R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol is CO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1.
What is the InChIKey of (R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol?
The InChIKey is JSRCZLMHWBGHFK-ZHRRBRCNSA-N. The full InChI is InChI=1S/C16H19ClNO3P/c1-18(2)14-8-10-15(11-9-14)22(20,21-3)16(19)12-4-6-13(17)7-5-12/h4-11,16,19H,1-3H3/t16-,22+/m1/s1.
What are the key properties of (R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol?
(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol has a molecular weight of 339.76 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol is sourced from PubChem (CID 11860770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).