(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol

C21H28NO3P — CID 11863067

IUPAC(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol
SMILESCN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H28NO3P/c1-22(2)18-13-15-20(16-14-18)26(24,25-19-11-7-4-8-12-19)21(23)17-9-5-3-6-10-17/h3,5-6,9-10,13-16,19,21,23H,4,7-8,11-12H2,1-2H3/t21-,26-/m1/s1
InChIKeyYAAYRNWARXLNIC-QFQXNSOFSA-N
MW373.43 g/mol
LogP4.70
Rot. Bonds6

About (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol

(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol (PubChem CID 11863067) has the molecular formula C21H28NO3P and a molecular weight of 373.43 g/mol. Its IUPAC name is (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol
PubChem CID11863067
Molecular FormulaC21H28NO3P
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol
SMILESCN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C21H28NO3P/c1-22(2)18-13-15-20(16-14-18)26(24,25-19-11-7-4-8-12-19)21(23)17-9-5-3-6-10-17/h3,5-6,9-10,13-16,19,21,23H,4,7-8,11-12H2,1-2H3/t21-,26-/m1/s1
InChIKeyYAAYRNWARXLNIC-QFQXNSOFSA-N
XLogP4.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.70
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

[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol
CID 4527882
(S)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 11863031
[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 3717368
(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 11863033
(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11863321
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-phenylmethanol
CID 11863122
[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 3372681
(R)-[[4-(dimethylamino)phenyl]-(3-methylbutoxy)phosphoryl]-phenylmethanol
CID 11879084
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-phenylmethoxyphosphoryl]methanol
CID 11862751
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol
CID 11906970
(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)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol?
The IUPAC name of (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol (CID 11863067) is (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol.
What is the SMILES notation for (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol?
The canonical SMILES for (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol is CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol?
The InChIKey is YAAYRNWARXLNIC-QFQXNSOFSA-N. The full InChI is InChI=1S/C21H28NO3P/c1-22(2)18-13-15-20(16-14-18)26(24,25-19-11-7-4-8-12-19)21(23)17-9-5-3-6-10-17/h3,5-6,9-10,13-16,19,21,23H,4,7-8,11-12H2,1-2H3/t21-,26-/m1/s1.
What are the key properties of (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol?
(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol has a molecular weight of 373.43 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol is sourced from PubChem (CID 11863067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).