2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid

C19H16O7 — CID 174498376

IUPAC2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)(CC(=O)OC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C19H16O7/c20-15(21)9-19(25,18(23)24)10-16(22)26-17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8,17,25H,9-10H2,(H,20,21)(H,23,24)
InChIKeyJIECXCZHDAJMCF-UHFFFAOYSA-N
MW356.33 g/mol
LogP1.98
Rot. Bonds6

About 2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid

2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid (PubChem CID 174498376) has the molecular formula C19H16O7 and a molecular weight of 356.33 g/mol. Its IUPAC name is 2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid.

Molecular Properties

Compound Name2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid
PubChem CID174498376
Molecular FormulaC19H16O7
Molecular Weight356.33 g/mol
Exact Mass356.09
IUPAC Name2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid
SMILESO=C(O)CC(O)(CC(=O)OC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C19H16O7/c20-15(21)9-19(25,18(23)24)10-16(22)26-17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8,17,25H,9-10H2,(H,20,21)(H,23,24)
InChIKeyJIECXCZHDAJMCF-UHFFFAOYSA-N
XLogP1.98
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-yl 2-phenoxyacetate
CID 7980307
2-hydroxy-2-[2-oxo-2-(triphenyl-λ4-sulfanyl)oxyethyl]butanedioic acid
CID 66598523
2-hydroxy-2-[2-oxo-2-(2-phenylacetyl)oxyethyl]butanedioic acid
CID 91125922
bis(diphenylphosphane);2-hydroxypropane-1,2,3-tricarboxylic acid
CID 172800444
9H-fluoren-9-yl 3-(4-tert-butylphenoxy)propanoate
CID 7855971
9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951283
potassium;hydride;2-(2-hydroperoxy-2-oxoethyl)-2-hydroxybutanedioic acid
CID 173087123
9H-fluoren-9-yl 3-(2-ethoxyphenoxy)propanoate
CID 7856628
9H-fluoren-9-yl 2-(2-methoxyphenyl)acetate
CID 75412915
9H-fluoren-9-yl 2,2-dimethylbutanoate
CID 58031020
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
2-hydroxypropane-1,2,3-tricarboxylic acid;tungsten
CID 89401463

Frequently Asked Questions

What is the IUPAC name of 2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid?
The IUPAC name of 2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid (CID 174498376) is 2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid.
What is the SMILES notation for 2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid?
The canonical SMILES for 2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid is O=C(O)CC(O)(CC(=O)OC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid?
The InChIKey is JIECXCZHDAJMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O7/c20-15(21)9-19(25,18(23)24)10-16(22)26-17-13-7-3-1-5-11(13)12-6-2-4-8-14(12)17/h1-8,17,25H,9-10H2,(H,20,21)(H,23,24).
What are the key properties of 2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid?
2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid has a molecular weight of 356.33 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(9H-fluoren-9-yloxy)-2-oxoethyl]-2-hydroxybutanedioic acid is sourced from PubChem (CID 174498376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).