[1-cyclopentylethenyl(methyl)phosphoryl]benzene

C14H19OP — CID 59707589

IUPAC[1-cyclopentylethenyl(methyl)phosphoryl]benzene
SMILESC=C(C1CCCC1)[P@](C)(=O)c1ccccc1
InChIInChI=1S/C14H19OP/c1-12(13-8-6-7-9-13)16(2,15)14-10-4-3-5-11-14/h3-5,10-11,13H,1,6-9H2,2H3/t16-/m0/s1
InChIKeyHSCRMQRGQNGVIW-INIZCTEOSA-N
MW234.28 g/mol
LogP4.01
Rot. Bonds3

About [1-cyclopentylethenyl(methyl)phosphoryl]benzene

[1-cyclopentylethenyl(methyl)phosphoryl]benzene (PubChem CID 59707589) has the molecular formula C14H19OP and a molecular weight of 234.28 g/mol. Its IUPAC name is [1-cyclopentylethenyl(methyl)phosphoryl]benzene.

Molecular Properties

Compound Name[1-cyclopentylethenyl(methyl)phosphoryl]benzene
PubChem CID59707589
Molecular FormulaC14H19OP
Molecular Weight234.28 g/mol
Exact Mass234.12
IUPAC Name[1-cyclopentylethenyl(methyl)phosphoryl]benzene
SMILESC=C(C1CCCC1)[P@](C)(=O)c1ccccc1
InChIInChI=1S/C14H19OP/c1-12(13-8-6-7-9-13)16(2,15)14-10-4-3-5-11-14/h3-5,10-11,13H,1,6-9H2,2H3/t16-/m0/s1
InChIKeyHSCRMQRGQNGVIW-INIZCTEOSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [1-cyclopentylethenyl(methyl)phosphoryl]benzene 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

1-cyclohexyl-2-diphenylphosphorylpropan-1-one
CID 10893177
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
1-cyclohexylethenyl diphenyl phosphate
CID 102084155
[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene
CID 59707595
2-diphenylphosphoryloxycyclohexan-1-ol
CID 175340118
[[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130022
[1-cyclohexylethyl(phenyl)phosphoryl]benzene
CID 12705904
methyl(phenyl)phosphinic acid;zinc
CID 66618039
2-cyclohexyl-N-phenylprop-2-enamide;ethane
CID 170964049
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
[cyclohexylmethyl(phenyl)phosphoryl]benzene
CID 11120069
magnesium;hydride;methyl(phenyl)phosphinic acid
CID 173000792

Frequently Asked Questions

What is the IUPAC name of [1-cyclopentylethenyl(methyl)phosphoryl]benzene?
The IUPAC name of [1-cyclopentylethenyl(methyl)phosphoryl]benzene (CID 59707589) is [1-cyclopentylethenyl(methyl)phosphoryl]benzene.
What is the SMILES notation for [1-cyclopentylethenyl(methyl)phosphoryl]benzene?
The canonical SMILES for [1-cyclopentylethenyl(methyl)phosphoryl]benzene is C=C(C1CCCC1)[P@](C)(=O)c1ccccc1.
What is the InChIKey of [1-cyclopentylethenyl(methyl)phosphoryl]benzene?
The InChIKey is HSCRMQRGQNGVIW-INIZCTEOSA-N. The full InChI is InChI=1S/C14H19OP/c1-12(13-8-6-7-9-13)16(2,15)14-10-4-3-5-11-14/h3-5,10-11,13H,1,6-9H2,2H3/t16-/m0/s1.
What are the key properties of [1-cyclopentylethenyl(methyl)phosphoryl]benzene?
[1-cyclopentylethenyl(methyl)phosphoryl]benzene has a molecular weight of 234.28 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopentylethenyl(methyl)phosphoryl]benzene is sourced from PubChem (CID 59707589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).