butane;phenylphosphinous acid

C10H17OP — CID 70542931

IUPACbutane;phenylphosphinous acid
SMILESCCCC.OPc1ccccc1
InChIInChI=1S/C6H7OP.C4H10/c7-8-6-4-2-1-3-5-6;1-3-4-2/h1-5,7-8H;3-4H2,1-2H3
InChIKeyJZLXATWAKMKYHZ-UHFFFAOYSA-N
MW184.22 g/mol
LogP2.70
Rot. Bonds2

About butane;phenylphosphinous acid

butane;phenylphosphinous acid (PubChem CID 70542931) has the molecular formula C10H17OP and a molecular weight of 184.22 g/mol. Its IUPAC name is butane;phenylphosphinous acid.

Molecular Properties

Compound Namebutane;phenylphosphinous acid
PubChem CID70542931
Molecular FormulaC10H17OP
Molecular Weight184.22 g/mol
Exact Mass184.10
IUPAC Namebutane;phenylphosphinous acid
SMILESCCCC.OPc1ccccc1
InChIInChI=1S/C6H7OP.C4H10/c7-8-6-4-2-1-3-5-6;1-3-4-2/h1-5,7-8H;3-4H2,1-2H3
InChIKeyJZLXATWAKMKYHZ-UHFFFAOYSA-N
XLogP2.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 52.70
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

bis(diphenylphosphane);ethanol
CID 175242741
butane;dichloronickel;diphenylphosphane
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azane;1,1'-biphenyl;butane
CID 155168826
benzene;phenol;propane
CID 157176896
diphenylphosphane;ethylphosphane
CID 158116406
dodecane;phenol
CID 157210063
butane;hydroxy(diphenyl)silane
CID 159224288
methanol;phenol;propane
CID 91268562
nonyl(phenyl)phosphane
CID 69424973
hexadecyl(phenyl)phosphane
CID 23361411
butane;phenol;phenylmethoxymethylbenzene
CID 174556357

Frequently Asked Questions

What is the IUPAC name of butane;phenylphosphinous acid?
The IUPAC name of butane;phenylphosphinous acid (CID 70542931) is butane;phenylphosphinous acid.
What is the SMILES notation for butane;phenylphosphinous acid?
The canonical SMILES for butane;phenylphosphinous acid is CCCC.OPc1ccccc1.
What is the InChIKey of butane;phenylphosphinous acid?
The InChIKey is JZLXATWAKMKYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7OP.C4H10/c7-8-6-4-2-1-3-5-6;1-3-4-2/h1-5,7-8H;3-4H2,1-2H3.
What are the key properties of butane;phenylphosphinous acid?
butane;phenylphosphinous acid has a molecular weight of 184.22 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;phenylphosphinous acid is sourced from PubChem (CID 70542931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).