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

C24H34NO6P — CID 11863321

IUPAC(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H34NO6P/c1-25(2)18-11-13-20(14-12-18)32(27,31-19-9-7-6-8-10-19)24(26)17-15-21(28-3)23(30-5)22(16-17)29-4/h11-16,19,24,26H,6-10H2,1-5H3/t24-,32+/m1/s1
InChIKeyQEMLGICHKQXJJL-QNLPTKCRSA-N
MW463.51 g/mol
LogP4.72
Rot. Bonds9

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

(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol (PubChem CID 11863321) has the molecular formula C24H34NO6P and a molecular weight of 463.51 g/mol. Its IUPAC name is (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol.

Molecular Properties

Compound Name(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol
PubChem CID11863321
Molecular FormulaC24H34NO6P
Molecular Weight463.51 g/mol
Exact Mass463.21
IUPAC Name(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol
SMILESCOc1cc([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C24H34NO6P/c1-25(2)18-11-13-20(14-12-18)32(27,31-19-9-7-6-8-10-19)24(26)17-15-21(28-3)23(30-5)22(16-17)29-4/h11-16,19,24,26H,6-10H2,1-5H3/t24-,32+/m1/s1
InChIKeyQEMLGICHKQXJJL-QNLPTKCRSA-N
XLogP4.72
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.51
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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]-phenylmethanol
CID 11863067
[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol
CID 4527882
(R)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11862835
(R)-[[4-(dimethylamino)phenyl]-ethoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11863070
(R)-[[4-(dimethylamino)phenyl]-propoxyphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11876273
[(5-methyl-2-propan-2-ylcyclohexyl)oxy-phenylphosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 23850231
(R)-[butoxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4-dimethoxyphenyl)methanol
CID 11862953
(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol
CID 11860770
cyclohexyl-(3,4,5-trimethoxyphenyl)methanol
CID 63895814

Frequently Asked Questions

What is the IUPAC name of (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
The IUPAC name of (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol (CID 11863321) is (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol.
What is the SMILES notation for (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
The canonical SMILES for (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol is COc1cc([C@H](O)[P@@](=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
The InChIKey is QEMLGICHKQXJJL-QNLPTKCRSA-N. The full InChI is InChI=1S/C24H34NO6P/c1-25(2)18-11-13-20(14-12-18)32(27,31-19-9-7-6-8-10-19)24(26)17-15-21(28-3)23(30-5)22(16-17)29-4/h11-16,19,24,26H,6-10H2,1-5H3/t24-,32+/m1/s1.
What are the key properties of (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol?
(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol has a molecular weight of 463.51 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol is sourced from PubChem (CID 11863321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).