1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol

C21H27O2P — CID 10783487

IUPAC1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol
SMILESCCC(C1(O)CCCCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27O2P/c1-2-20(21(22)16-10-5-11-17-21)24(23,18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-4,6-9,12-15,20,22H,2,5,10-11,16-17H2,1H3
InChIKeyDVWOFNOTMPGKEH-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.47
Rot. Bonds5

About 1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol

1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol (PubChem CID 10783487) has the molecular formula C21H27O2P and a molecular weight of 342.42 g/mol. Its IUPAC name is 1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol
PubChem CID10783487
Molecular FormulaC21H27O2P
Molecular Weight342.42 g/mol
Exact Mass342.17
IUPAC Name1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol
SMILESCCC(C1(O)CCCCC1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27O2P/c1-2-20(21(22)16-10-5-11-17-21)24(23,18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-4,6-9,12-15,20,22H,2,5,10-11,16-17H2,1H3
InChIKeyDVWOFNOTMPGKEH-UHFFFAOYSA-N
XLogP4.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[diphenylphosphoryl(methylsulfanyl)methyl]cyclopentan-1-ol
CID 100995519
1-[diphenylphosphoryl-(N-methylanilino)methyl]cycloheptan-1-ol
CID 12595866
1-[diphenylphosphoryl-(N-methylanilino)methyl]cyclopentan-1-ol
CID 12595862
1-[(1R,2S)-1-diphenylphosphoryl-2-phenylpropyl]cyclobutan-1-ol
CID 10938003
ethyl 2-diphenylphosphorylbutanoate
CID 3289808
[5-diphenylphosphoryloxyheptan-3-yloxy(phenyl)phosphoryl]benzene
CID 90416942
[1-cyclohexylethyl(phenyl)phosphoryl]benzene
CID 12705904
1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
1-cyclohexyl-2-diphenylphosphorylpropan-1-one
CID 10893177
2-(1-hydroxycyclohexyl)-N-methyl-2-phenylacetamide
CID 70447762
1-[1-(benzenesulfonyl)propan-2-yl]cyclopentan-1-ol
CID 18985953
(3R,4S,5R)-4-diphenylphosphorylhept-1-ene-3,5-diol
CID 10336740

Frequently Asked Questions

What is the IUPAC name of 1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol (CID 10783487) is 1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol is CCC(C1(O)CCCCC1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol?
The InChIKey is DVWOFNOTMPGKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27O2P/c1-2-20(21(22)16-10-5-11-17-21)24(23,18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-4,6-9,12-15,20,22H,2,5,10-11,16-17H2,1H3.
What are the key properties of 1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol?
1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol has a molecular weight of 342.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-diphenylphosphorylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 10783487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).