1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone

C21H25O2P — CID 102488052

IUPAC1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone
SMILESCC(=O)c1ccc(P(=O)(Cc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C21H25O2P/c1-17(22)19-12-14-21(15-13-19)24(23,20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3
InChIKeySTHOXBLSCBETFE-UHFFFAOYSA-N
MW340.40 g/mol
LogP5.41
Rot. Bonds5

About 1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone

1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone (PubChem CID 102488052) has the molecular formula C21H25O2P and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone
PubChem CID102488052
Molecular FormulaC21H25O2P
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone
SMILESCC(=O)c1ccc(P(=O)(Cc2ccccc2)C2CCCCC2)cc1
InChIInChI=1S/C21H25O2P/c1-17(22)19-12-14-21(15-13-19)24(23,20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3
InChIKeySTHOXBLSCBETFE-UHFFFAOYSA-N
XLogP5.41
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone 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

cyclohexanol;1-phenylethanone
CID 22467660
[butyl(cyclohexyl)phosphoryl]benzene
CID 66796119
1-[4-(cyclooctylmethyl)phenyl]ethanone
CID 154098727
iron;1-phenylethanone
CID 70488357
benzyl 4-acetylbenzoate
CID 590101
(E)-2-[[benzyl(ethoxy)phosphoryl]methyl]-3-cyclohexylprop-2-enoic acid
CID 67805004
1-(cyclotetradecaheptaenyl)ethanone
CID 90871438
3-[cyclohexyl(phenyl)phosphoryl]propyl methanesulfonate
CID 603389
1-[4-(4-benzylphenyl)phenyl]ethanone
CID 67858865
1-[4-[butyl(phenyl)phosphoryl]phenyl]ethanone
CID 13301418
1-(7-cyclononyloxycyclodeca-1,3,5,7,9-pentaen-1-yl)ethanone
CID 91060627
N-cyclohexylformamide;1-phenylethanone
CID 174611681

Frequently Asked Questions

What is the IUPAC name of 1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone?
The IUPAC name of 1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone (CID 102488052) is 1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone?
The canonical SMILES for 1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone is CC(=O)c1ccc(P(=O)(Cc2ccccc2)C2CCCCC2)cc1.
What is the InChIKey of 1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone?
The InChIKey is STHOXBLSCBETFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25O2P/c1-17(22)19-12-14-21(15-13-19)24(23,20-10-6-3-7-11-20)16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,20H,3,6-7,10-11,16H2,1H3.
What are the key properties of 1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone?
1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone has a molecular weight of 340.40 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[benzyl(cyclohexyl)phosphoryl]phenyl]ethanone is sourced from PubChem (CID 102488052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).