ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid

C11H17O4P — CID 90760124

IUPACethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid
SMILESCC.O=C(O)CCP(=O)(O)c1ccccc1
InChIInChI=1S/C9H11O4P.C2H6/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8;1-2/h1-5H,6-7H2,(H,10,11)(H,12,13);1-2H3
InChIKeyGFDIBBRVWLIIBS-UHFFFAOYSA-N
MW244.23 g/mol
LogP2.08
Rot. Bonds4

About ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid

ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid (PubChem CID 90760124) has the molecular formula C11H17O4P and a molecular weight of 244.23 g/mol. Its IUPAC name is ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid.

Molecular Properties

Compound Nameethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid
PubChem CID90760124
Molecular FormulaC11H17O4P
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Nameethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid
SMILESCC.O=C(O)CCP(=O)(O)c1ccccc1
InChIInChI=1S/C9H11O4P.C2H6/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8;1-2/h1-5H,6-7H2,(H,10,11)(H,12,13);1-2H3
InChIKeyGFDIBBRVWLIIBS-UHFFFAOYSA-N
XLogP2.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[hydroxy(phenyl)phosphoryl]propanoic acid;praseodymium
CID 175321703
2,2-bis(hydroxymethyl)propane-1,3-diol;3-[hydroxy(phenyl)phosphoryl]propanoic acid
CID 174529163
3-[hydroxy-(4-methylphenyl)phosphoryl]propanoic acid
CID 19011091
3-[(4-butylphenyl)-hydroxyphosphoryl]propanoic acid
CID 19011083
3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838
(3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid
CID 58971179
2-[2-[hydroxy(phenyl)phosphoryl]ethyl]-2-phosphonobutanedioic acid
CID 88765115
2-methylpropyl(phenyl)phosphinic acid
CID 793404
CID 66766975
CID 66766975
phenylphosphonic acid;terbium
CID 175289814
diphenylphosphinic acid chloride
CID 53401992
phenylphosphonic acid;phosphane
CID 157219344

Frequently Asked Questions

What is the IUPAC name of ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid?
The IUPAC name of ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid (CID 90760124) is ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid.
What is the SMILES notation for ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid?
The canonical SMILES for ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid is CC.O=C(O)CCP(=O)(O)c1ccccc1.
What is the InChIKey of ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid?
The InChIKey is GFDIBBRVWLIIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O4P.C2H6/c10-9(11)6-7-14(12,13)8-4-2-1-3-5-8;1-2/h1-5H,6-7H2,(H,10,11)(H,12,13);1-2H3.
What are the key properties of ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid?
ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid has a molecular weight of 244.23 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[hydroxy(phenyl)phosphoryl]propanoic acid is sourced from PubChem (CID 90760124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).