1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol

C22H27O2P — CID 15981536

IUPAC1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol
SMILESO=P(/C=C/C1(O)CCCCC1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H27O2P/c23-22(14-8-3-9-15-22)16-17-25(24,18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-2,4-7,10-13,16-17,23H,3,8-9,14-15,18-19H2/b17-16+
InChIKeyYOLLLPSGFMHKMQ-WUKNDPDISA-N
MW354.43 g/mol
LogP5.96
Rot. Bonds6

About 1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol

1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol (PubChem CID 15981536) has the molecular formula C22H27O2P and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol
PubChem CID15981536
Molecular FormulaC22H27O2P
Molecular Weight354.43 g/mol
Exact Mass354.17
IUPAC Name1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol
SMILESO=P(/C=C/C1(O)CCCCC1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H27O2P/c23-22(14-8-3-9-15-22)16-17-25(24,18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-2,4-7,10-13,16-17,23H,3,8-9,14-15,18-19H2/b17-16+
InChIKeyYOLLLPSGFMHKMQ-WUKNDPDISA-N
XLogP5.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.43
LogP ≤ 55.96
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-[(E)-3-triphenylstannylprop-1-enyl]cyclohexan-1-ol
CID 11134709
1-[(E)-2-(benzenesulfonyl)ethenyl]cyclohexan-1-ol
CID 14785612
1-hydroxycyclohexane-1-carbaldehyde;styrene
CID 174375835
1-(2-methyl-5-phenylpent-1-enyl)cyclohexan-1-ol
CID 56984484
(1-benzylcycloheptyl)methanamine
CID 65391702
2-[(Z)-2-(1-hydroxycyclopentyl)ethenyl]phenol
CID 10954674
(1-benzylcyclooctyl)methanamine
CID 80602159
benzyl 8-hydroxy-8-prop-2-enylcyclopentadecane-1-carboxylate
CID 118601136
N-benzyl-1-hydroxy-N-methylcyclohexane-1-carboxamide
CID 71857199
N-[benzyl(chloro)phosphoryl]-N-prop-2-enylprop-2-en-1-amine
CID 87635437
benzyl (1R)-1-acetyl-2-methylidenecycloheptane-1-carboxylate
CID 134848518
1-(1-phenylmethoxyethenyl)cyclohexan-1-amine;propane
CID 143504633

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol?
The IUPAC name of 1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol (CID 15981536) is 1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol is O=P(/C=C/C1(O)CCCCC1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol?
The InChIKey is YOLLLPSGFMHKMQ-WUKNDPDISA-N. The full InChI is InChI=1S/C22H27O2P/c23-22(14-8-3-9-15-22)16-17-25(24,18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-2,4-7,10-13,16-17,23H,3,8-9,14-15,18-19H2/b17-16+.
What are the key properties of 1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol?
1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol has a molecular weight of 354.43 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-dibenzylphosphorylethenyl]cyclohexan-1-ol is sourced from PubChem (CID 15981536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).