ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid

C12H17O3P — CID 172803061

IUPACethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid
SMILESC=CP(=O)(O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C12H17O3P/c1-4-16(13,14)15-12(2,3)10-11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3,(H,13,14)
InChIKeyRDCJQSKVOOLKRG-UHFFFAOYSA-N
MW240.24 g/mol
LogP3.35
Rot. Bonds5

About ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid

ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid (PubChem CID 172803061) has the molecular formula C12H17O3P and a molecular weight of 240.24 g/mol. Its IUPAC name is ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid.

Molecular Properties

Compound Nameethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid
PubChem CID172803061
Molecular FormulaC12H17O3P
Molecular Weight240.24 g/mol
Exact Mass240.09
IUPAC Nameethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid
SMILESC=CP(=O)(O)OC(C)(C)Cc1ccccc1
InChIInChI=1S/C12H17O3P/c1-4-16(13,14)15-12(2,3)10-11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3,(H,13,14)
InChIKeyRDCJQSKVOOLKRG-UHFFFAOYSA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
CID 102038420
(2-methoxy-2-methylpropyl)benzene
CID 3842751
(2S)-2-benzyl-2-methylbut-3-enoic acid
CID 93234010
(2-methyl-1-phenylpropan-2-yl) phenyl carbonate
CID 71329533
(2-benzyl-1-hydroxy-3-phenylpropan-2-yl)phosphonic acid
CID 68613348
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2-methyl-1-phenylpropan-2-yl) trifluoromethanesulfonate
CID 87373674
2-methyl-1-phenylhex-5-en-2-ol
CID 104656177
tris(1,2-diphenylpropan-2-yl) phosphate
CID 139725545
(2-methyl-2-phenylmethoxypropyl)benzene
CID 86203864
4-amino-3-benzyl-4-methylpent-1-en-3-ol;hydrochloride
CID 173170134
benzyl tert-butyl hydrogen phosphate
CID 140989025

Frequently Asked Questions

What is the IUPAC name of ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid?
The IUPAC name of ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid (CID 172803061) is ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid.
What is the SMILES notation for ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid?
The canonical SMILES for ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid is C=CP(=O)(O)OC(C)(C)Cc1ccccc1.
What is the InChIKey of ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid?
The InChIKey is RDCJQSKVOOLKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O3P/c1-4-16(13,14)15-12(2,3)10-11-8-6-5-7-9-11/h4-9H,1,10H2,2-3H3,(H,13,14).
What are the key properties of ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid?
ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid has a molecular weight of 240.24 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-(2-methyl-1-phenylpropan-2-yl)oxyphosphinic acid is sourced from PubChem (CID 172803061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).