[2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene

C21H23OP — CID 143809980

IUPAC[2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene
SMILESC=C1CCC(=CCP(=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H23OP/c1-18-12-14-19(15-13-18)16-17-23(22,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,16H,1,12-15,17H2
InChIKeyJAEJQMZHYYBCSM-UHFFFAOYSA-N
MW322.39 g/mol
LogP5.06
Rot. Bonds4

About [2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene

[2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene (PubChem CID 143809980) has the molecular formula C21H23OP and a molecular weight of 322.39 g/mol. Its IUPAC name is [2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene
PubChem CID143809980
Molecular FormulaC21H23OP
Molecular Weight322.39 g/mol
Exact Mass322.15
IUPAC Name[2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene
SMILESC=C1CCC(=CCP(=O)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H23OP/c1-18-12-14-19(15-13-18)16-17-23(22,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,16H,1,12-15,17H2
InChIKeyJAEJQMZHYYBCSM-UHFFFAOYSA-N
XLogP5.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[2-cyclohexylideneethyl(phenyl)phosphoryl]benzene
CID 57014590
cis-(1R,3S,5Z)-5-(2-diphenylphosphorylethylidene)-3-fluoro-2-methylidenecyclohexan-1-ol
CID 89187765
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
tert-butyl-[(1R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-2-methylidenecyclohexyl]oxy-dimethylsilane
CID 69170270
tert-butyl-[(Z)-[(3E)-3-[[tert-butyl(dimethyl)silyl]oxymethylidene]-5-(2-diphenylphosphorylethylidene)cyclohexylidene]methoxy]-dimethylsilane
CID 69236984
[[(2Z)-2-[2-methylidene-3,5-bis(sulfanyloxy)cyclohexylidene]ethyl]-phenylphosphoryl]benzene
CID 18736950
tert-butyl-[(1S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)cyclohexyl]oxy-dimethylsilane
CID 124630491
[(1S,3Z)-3-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-tri(propan-2-yl)silane
CID 23253590
tert-butyl-[[(4S,8R)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-diphenylphosphorylethylidene)-1-oxaspiro[2.5]octan-8-yl]oxy]-dimethylsilane
CID 146028799
N-(2-diphenylphosphorylethylideneamino)-N-methylmethanamine
CID 86224855
tert-butyl-[(1R,3S,5Z)-3-[tert-butyl(dimethyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-dimethylsilane
CID 11124745
tert-butyl-[(1S,3S,5Z)-3-[tert-butyl(diphenyl)silyl]oxy-5-(2-diphenylphosphorylethylidene)-4-methylidenecyclohexyl]oxy-diphenylsilane
CID 86754892

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene?
The IUPAC name of [2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene (CID 143809980) is [2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene.
What is the SMILES notation for [2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene?
The canonical SMILES for [2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene is C=C1CCC(=CCP(=O)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene?
The InChIKey is JAEJQMZHYYBCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23OP/c1-18-12-14-19(15-13-18)16-17-23(22,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,16H,1,12-15,17H2.
What are the key properties of [2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene?
[2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene has a molecular weight of 322.39 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylidenecyclohexylidene)ethyl-phenylphosphoryl]benzene is sourced from PubChem (CID 143809980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).