1-[butyl(phenyl)phosphoryl]-4-chlorobenzene

C16H18ClOP — CID 134968040

IUPAC1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
SMILESCCCC[P@@](=O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClOP/c1-2-3-13-19(18,15-7-5-4-6-8-15)16-11-9-14(17)10-12-16/h4-12H,2-3,13H2,1H3/t19-/m1/s1
InChIKeyFHFZKCOPYQWQBM-LJQANCHMSA-N
MW292.75 g/mol
LogP4.45
Rot. Bonds5

About 1-[butyl(phenyl)phosphoryl]-4-chlorobenzene

1-[butyl(phenyl)phosphoryl]-4-chlorobenzene (PubChem CID 134968040) has the molecular formula C16H18ClOP and a molecular weight of 292.75 g/mol. Its IUPAC name is 1-[butyl(phenyl)phosphoryl]-4-chlorobenzene.

Molecular Properties

Compound Name1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
PubChem CID134968040
Molecular FormulaC16H18ClOP
Molecular Weight292.75 g/mol
Exact Mass292.08
IUPAC Name1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
SMILESCCCC[P@@](=O)(c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClOP/c1-2-3-13-19(18,15-7-5-4-6-8-15)16-11-9-14(17)10-12-16/h4-12H,2-3,13H2,1H3/t19-/m1/s1
InChIKeyFHFZKCOPYQWQBM-LJQANCHMSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene
CID 102112436
1-[4-[butyl(phenyl)phosphoryl]phenyl]ethanone
CID 13301418
1-[butyl(phenyl)phosphoryl]-2-methoxybenzene
CID 14663612
butyl(phenyl)phosphinate
CID 51386598
1-dibutylphosphorylbutane;diphenylphosphorylbenzene
CID 174710140
1-chloro-4-(diphenylphosphorylmethyl)benzene
CID 14941259
3-[(3-aminophenyl)-butylphosphoryl]aniline
CID 14008177
[6-methoxyhexyl(phenyl)phosphoryl]benzene
CID 141463056
(4-chlorophenyl)-propylphosphinic acid
CID 66861527
1-benzyl-2-[decyl(phenyl)phosphoryl]benzene
CID 158283262
[2-ethoxyethyl(phenyl)phosphoryl]benzene
CID 2304634
N-(4-chlorophenyl)-1-diphenylphosphorylpropan-2-imine
CID 11089901

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(phenyl)phosphoryl]-4-chlorobenzene?
The IUPAC name of 1-[butyl(phenyl)phosphoryl]-4-chlorobenzene (CID 134968040) is 1-[butyl(phenyl)phosphoryl]-4-chlorobenzene.
What is the SMILES notation for 1-[butyl(phenyl)phosphoryl]-4-chlorobenzene?
The canonical SMILES for 1-[butyl(phenyl)phosphoryl]-4-chlorobenzene is CCCC[P@@](=O)(c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[butyl(phenyl)phosphoryl]-4-chlorobenzene?
The InChIKey is FHFZKCOPYQWQBM-LJQANCHMSA-N. The full InChI is InChI=1S/C16H18ClOP/c1-2-3-13-19(18,15-7-5-4-6-8-15)16-11-9-14(17)10-12-16/h4-12H,2-3,13H2,1H3/t19-/m1/s1.
What are the key properties of 1-[butyl(phenyl)phosphoryl]-4-chlorobenzene?
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene has a molecular weight of 292.75 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(phenyl)phosphoryl]-4-chlorobenzene is sourced from PubChem (CID 134968040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).