[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol

C24H34NO3P — CID 4527882

IUPAC[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)P(=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H34NO3P/c1-18(2)19-10-12-20(13-11-19)24(26)29(27,28-22-8-6-5-7-9-22)23-16-14-21(15-17-23)25(3)4/h10-18,22,24,26H,5-9H2,1-4H3
InChIKeyBQKORMCNTWMRAI-UHFFFAOYSA-N
MW415.51 g/mol
LogP5.82
Rot. Bonds7

About [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol

[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol (PubChem CID 4527882) has the molecular formula C24H34NO3P and a molecular weight of 415.51 g/mol. Its IUPAC name is [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol
PubChem CID4527882
Molecular FormulaC24H34NO3P
Molecular Weight415.51 g/mol
Exact Mass415.23
IUPAC Name[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)P(=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C24H34NO3P/c1-18(2)19-10-12-20(13-11-19)24(26)29(27,28-22-8-6-5-7-9-22)23-16-14-21(15-17-23)25(3)4/h10-18,22,24,26H,5-9H2,1-4H3
InChIKeyBQKORMCNTWMRAI-UHFFFAOYSA-N
XLogP5.82
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.51
LogP ≤ 55.82
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)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-phenylmethanol
CID 11863067
(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(3,4,5-trimethoxyphenyl)methanol
CID 11863321
(S)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]-(4-propan-2-ylphenyl)methanol
CID 11906970
(R)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 11863033
(S)-[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 11863031
[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(2-methoxyphenyl)methanol
CID 3717368
(R)-(4-chlorophenyl)-[[4-(dimethylamino)phenyl]-methoxyphosphoryl]methanol
CID 11860770
(R)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]methanol
CID 124759499
(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 3470225
(S)-(4-bromophenyl)-[[4-(dimethylamino)phenyl]-propan-2-yloxyphosphoryl]methanol
CID 11862807
(S)-[[4-(dimethylamino)phenyl]-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-4-ylmethanol
CID 11881737
(S)-[[4-(dimethylamino)phenyl]-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyphosphoryl]-pyridin-4-ylmethanol
CID 98376985

Frequently Asked Questions

What is the IUPAC name of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol?
The IUPAC name of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol (CID 4527882) is [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)P(=O)(OC2CCCCC2)c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol?
The InChIKey is BQKORMCNTWMRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34NO3P/c1-18(2)19-10-12-20(13-11-19)24(26)29(27,28-22-8-6-5-7-9-22)23-16-14-21(15-17-23)25(3)4/h10-18,22,24,26H,5-9H2,1-4H3.
What are the key properties of [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol?
[cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol has a molecular weight of 415.51 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyloxy-[4-(dimethylamino)phenyl]phosphoryl]-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 4527882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).