benzhydrylphosphinous acid

C13H13OP — CID 158752392

IUPACbenzhydrylphosphinous acid
SMILESOPC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13OP/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-15H
InChIKeyMJACPFACIODZOH-UHFFFAOYSA-N
MW216.22 g/mol
LogP3.36
Rot. Bonds3

About benzhydrylphosphinous acid

benzhydrylphosphinous acid (PubChem CID 158752392) has the molecular formula C13H13OP and a molecular weight of 216.22 g/mol. Its IUPAC name is benzhydrylphosphinous acid.

Molecular Properties

Compound Namebenzhydrylphosphinous acid
PubChem CID158752392
Molecular FormulaC13H13OP
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Namebenzhydrylphosphinous acid
SMILESOPC(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H13OP/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-15H
InChIKeyMJACPFACIODZOH-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 53.36
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

benzhydryl(methyl)phosphane
CID 143530235
1,2-diphenylethane-1,2-diol
CID 159073808
cumene;hydrogen peroxide
CID 21225480
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
benzhydrylphosphanyl-dimethyl-phenylphosphanium
CID 174158660
hydroperoxy(phenyl)methanolate
CID 21359346
[(1R)-2-hydroxy-1-phenylethyl]azanium
CID 6950536
hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 90333087
(1S)-1-phenylethanol
CID 157125626
benzene;2-phenylethane-1,1,2-triol
CID 174439943
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647

Frequently Asked Questions

What is the IUPAC name of benzhydrylphosphinous acid?
The IUPAC name of benzhydrylphosphinous acid (CID 158752392) is benzhydrylphosphinous acid.
What is the SMILES notation for benzhydrylphosphinous acid?
The canonical SMILES for benzhydrylphosphinous acid is OPC(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylphosphinous acid?
The InChIKey is MJACPFACIODZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13OP/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-15H.
What are the key properties of benzhydrylphosphinous acid?
benzhydrylphosphinous acid has a molecular weight of 216.22 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylphosphinous acid is sourced from PubChem (CID 158752392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).