(4-chlorophenyl)-propylphosphinic acid

C9H12ClO2P — CID 66861527

IUPAC(4-chlorophenyl)-propylphosphinic acid
SMILESCCCP(=O)(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClO2P/c1-2-7-13(11,12)9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyGNSRNIKTRRNFSG-UHFFFAOYSA-N
MW218.62 g/mol
LogP2.65
Rot. Bonds3

About (4-chlorophenyl)-propylphosphinic acid

(4-chlorophenyl)-propylphosphinic acid (PubChem CID 66861527) has the molecular formula C9H12ClO2P and a molecular weight of 218.62 g/mol. Its IUPAC name is (4-chlorophenyl)-propylphosphinic acid.

Molecular Properties

Compound Name(4-chlorophenyl)-propylphosphinic acid
PubChem CID66861527
Molecular FormulaC9H12ClO2P
Molecular Weight218.62 g/mol
Exact Mass218.03
IUPAC Name(4-chlorophenyl)-propylphosphinic acid
SMILESCCCP(=O)(O)c1ccc(Cl)cc1
InChIInChI=1S/C9H12ClO2P/c1-2-7-13(11,12)9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyGNSRNIKTRRNFSG-UHFFFAOYSA-N
XLogP2.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.62
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-dipropoxyphosphorylbenzene
CID 86198706
1,4-dichlorobenzene;phosphoric acid
CID 175035024
1-chloro-4-[(4-chlorophenyl)-decylphosphoryl]benzene
CID 102112436
1-chloro-4-[chloro(ethyl)phosphoryl]benzene
CID 13155233
1-[butyl(phenyl)phosphoryl]-4-chlorobenzene
CID 134968040
3-[(4-butylphenyl)-hydroxyphosphoryl]propanoic acid
CID 19011083
1-chloro-4-[(4-chlorophenyl)-ethoxyphosphoryl]benzene
CID 23280250
butyl-[4-(2-butylhex-1-enyl)phenyl]phosphinic acid
CID 175426900
bis(4-propylphenyl)phosphinic acid
CID 135350466
ethyl 2-bis(4-chlorophenyl)phosphorylacetate
CID 1378711
bis(4-ethylphenyl)phosphinic acid
CID 23160701
bis[(4-chlorophenyl)sulfanyl]phosphinic acid
CID 11142675

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-propylphosphinic acid?
The IUPAC name of (4-chlorophenyl)-propylphosphinic acid (CID 66861527) is (4-chlorophenyl)-propylphosphinic acid.
What is the SMILES notation for (4-chlorophenyl)-propylphosphinic acid?
The canonical SMILES for (4-chlorophenyl)-propylphosphinic acid is CCCP(=O)(O)c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-propylphosphinic acid?
The InChIKey is GNSRNIKTRRNFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClO2P/c1-2-7-13(11,12)9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of (4-chlorophenyl)-propylphosphinic acid?
(4-chlorophenyl)-propylphosphinic acid has a molecular weight of 218.62 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-propylphosphinic acid is sourced from PubChem (CID 66861527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).