2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid

C19H18O7 — CID 54144825

IUPAC2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid
SMILESCOC(=O)C(c1ccccc1)(c1ccccc1)C(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C19H18O7/c1-26-17(24)19(13-8-4-2-5-9-13,14-10-6-3-7-11-14)18(25,16(22)23)12-15(20)21/h2-11,25H,12H2,1H3,(H,20,21)(H,22,23)
InChIKeyODPROBORTRWLDR-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.44
Rot. Bonds7

About 2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid

2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid (PubChem CID 54144825) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid.

Molecular Properties

Compound Name2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid
PubChem CID54144825
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid
SMILESCOC(=O)C(c1ccccc1)(c1ccccc1)C(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C19H18O7/c1-26-17(24)19(13-8-4-2-5-9-13,14-10-6-3-7-11-14)18(25,16(22)23)12-15(20)21/h2-11,25H,12H2,1H3,(H,20,21)(H,22,23)
InChIKeyODPROBORTRWLDR-UHFFFAOYSA-N
XLogP1.44
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid?
The IUPAC name of 2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid (CID 54144825) is 2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid.
What is the SMILES notation for 2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid?
The canonical SMILES for 2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid is COC(=O)C(c1ccccc1)(c1ccccc1)C(O)(CC(=O)O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid?
The InChIKey is ODPROBORTRWLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-26-17(24)19(13-8-4-2-5-9-13,14-10-6-3-7-11-14)18(25,16(22)23)12-15(20)21/h2-11,25H,12H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid?
2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid has a molecular weight of 358.35 g/mol, XLogP of 1.44, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(2-methoxy-2-oxo-1,1-diphenylethyl)butanedioic acid is sourced from PubChem (CID 54144825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).