[(E)-hex-2-enyl]-phenylmethoxyphosphinous acid

C13H19O2P — CID 11521542

IUPAC[(E)-hex-2-enyl]-phenylmethoxyphosphinous acid
SMILESCCC/C=C/CP(O)OCc1ccccc1
InChIInChI=1S/C13H19O2P/c1-2-3-4-8-11-16(14)15-12-13-9-6-5-7-10-13/h4-10,14H,2-3,11-12H2,1H3/b8-4+
InChIKeyABEVMUINFYSALY-XBXARRHUSA-N
MW238.27 g/mol
LogP3.86
Rot. Bonds7

About [(E)-hex-2-enyl]-phenylmethoxyphosphinous acid

[(E)-hex-2-enyl]-phenylmethoxyphosphinous acid (PubChem CID 11521542) has the molecular formula C13H19O2P and a molecular weight of 238.27 g/mol. Its IUPAC name is [(E)-hex-2-enyl]-phenylmethoxyphosphinous acid.

Molecular Properties

Compound Name[(E)-hex-2-enyl]-phenylmethoxyphosphinous acid
PubChem CID11521542
Molecular FormulaC13H19O2P
Molecular Weight238.27 g/mol
Exact Mass238.11
IUPAC Name[(E)-hex-2-enyl]-phenylmethoxyphosphinous acid
SMILESCCC/C=C/CP(O)OCc1ccccc1
InChIInChI=1S/C13H19O2P/c1-2-3-4-8-11-16(14)15-12-13-9-6-5-7-10-13/h4-10,14H,2-3,11-12H2,1H3/b8-4+
InChIKeyABEVMUINFYSALY-XBXARRHUSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenylmethoxy(prop-2-enyl)phosphinous acid
CID 11542939
benzyl hex-2-enoate
CID 3828590
[[(E)-hex-2-enyl]-phenylmethoxyphosphoryl]methanamine
CID 129383395
(E)-1-phenylmethoxyhept-3-en-2-ol
CID 134897437
phenylmethoxyphosphonamidous acid
CID 91418701
ditert-butyl-[(E)-hex-2-enyl]-phenylmethoxysilane
CID 10640363
benzyl hexyl hydrogen phosphite
CID 174676176
benzyl dodecyl hydrogen phosphite
CID 161198417
tribenzyl phosphite
CID 11810300
phenylmethoxy(2,4,4-trimethylpentan-2-yl)phosphinous acid
CID 143149832
[(Z)-pentadec-6-enoxy]methylbenzene
CID 10591538
[(E)-hexacos-15-enoxy]methylbenzene
CID 58900689

Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-enyl]-phenylmethoxyphosphinous acid?
The IUPAC name of [(E)-hex-2-enyl]-phenylmethoxyphosphinous acid (CID 11521542) is [(E)-hex-2-enyl]-phenylmethoxyphosphinous acid.
What is the SMILES notation for [(E)-hex-2-enyl]-phenylmethoxyphosphinous acid?
The canonical SMILES for [(E)-hex-2-enyl]-phenylmethoxyphosphinous acid is CCC/C=C/CP(O)OCc1ccccc1.
What is the InChIKey of [(E)-hex-2-enyl]-phenylmethoxyphosphinous acid?
The InChIKey is ABEVMUINFYSALY-XBXARRHUSA-N. The full InChI is InChI=1S/C13H19O2P/c1-2-3-4-8-11-16(14)15-12-13-9-6-5-7-10-13/h4-10,14H,2-3,11-12H2,1H3/b8-4+.
What are the key properties of [(E)-hex-2-enyl]-phenylmethoxyphosphinous acid?
[(E)-hex-2-enyl]-phenylmethoxyphosphinous acid has a molecular weight of 238.27 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-enyl]-phenylmethoxyphosphinous acid is sourced from PubChem (CID 11521542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).