phenyl(prop-1-en-2-yl)phosphinous acid

C9H11OP — CID 167178997

IUPACphenyl(prop-1-en-2-yl)phosphinous acid
SMILESC=C(C)[P@@](O)c1ccccc1
InChIInChI=1S/C9H11OP/c1-8(2)11(10)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3/t11-/m1/s1
InChIKeyNPFUTTMNTWEKAY-LLVKDONJSA-N
MW166.16 g/mol
LogP2.23
Rot. Bonds2

About phenyl(prop-1-en-2-yl)phosphinous acid

phenyl(prop-1-en-2-yl)phosphinous acid (PubChem CID 167178997) has the molecular formula C9H11OP and a molecular weight of 166.16 g/mol. Its IUPAC name is phenyl(prop-1-en-2-yl)phosphinous acid.

Molecular Properties

Compound Namephenyl(prop-1-en-2-yl)phosphinous acid
PubChem CID167178997
Molecular FormulaC9H11OP
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Namephenyl(prop-1-en-2-yl)phosphinous acid
SMILESC=C(C)[P@@](O)c1ccccc1
InChIInChI=1S/C9H11OP/c1-8(2)11(10)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3/t11-/m1/s1
InChIKeyNPFUTTMNTWEKAY-LLVKDONJSA-N
XLogP2.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.23
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

phenylphosphonous acid;zinc
CID 141187307
2-methylprop-2-enoic acid;triphenylphosphane
CID 173320900
triphenyl(prop-1-en-2-yl)phosphanium bromide
CID 57358625
diphenylphosphinous acid;hydrochloride
CID 67934097
azane;1-diphenylphosphanylethenyl(diphenyl)phosphane
CID 87633873
buta-2,3-dien-2-yl(diphenyl)phosphane
CID 23270104
1-diphenylphosphanylethane-1,1-diol
CID 151023834
acetic acid;triphenylphosphane;hydrochloride
CID 87530977
1-fluoroethenyl(diphenyl)phosphane
CID 11128108
propan-2-one;triphenylphosphane;hydrate
CID 118484852
3-diphenylphosphanylprop-1-en-2-ol
CID 58420868
bis(2-methylprop-1-ene);toluene
CID 158339604

Frequently Asked Questions

What is the IUPAC name of phenyl(prop-1-en-2-yl)phosphinous acid?
The IUPAC name of phenyl(prop-1-en-2-yl)phosphinous acid (CID 167178997) is phenyl(prop-1-en-2-yl)phosphinous acid.
What is the SMILES notation for phenyl(prop-1-en-2-yl)phosphinous acid?
The canonical SMILES for phenyl(prop-1-en-2-yl)phosphinous acid is C=C(C)[P@@](O)c1ccccc1.
What is the InChIKey of phenyl(prop-1-en-2-yl)phosphinous acid?
The InChIKey is NPFUTTMNTWEKAY-LLVKDONJSA-N. The full InChI is InChI=1S/C9H11OP/c1-8(2)11(10)9-6-4-3-5-7-9/h3-7,10H,1H2,2H3/t11-/m1/s1.
What are the key properties of phenyl(prop-1-en-2-yl)phosphinous acid?
phenyl(prop-1-en-2-yl)phosphinous acid has a molecular weight of 166.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(prop-1-en-2-yl)phosphinous acid is sourced from PubChem (CID 167178997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).