4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid

C20H20O5 — CID 160737681

IUPAC4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid
SMILESCC(CO)(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C20H20O5/c1-20(12-21,19(23)24)10-18(22)25-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17,21H,10-12H2,1H3,(H,23,24)
InChIKeyLWHPTUMMLPUSLL-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.82
Rot. Bonds6

About 4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid

4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid (PubChem CID 160737681) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid
PubChem CID160737681
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid
SMILESCC(CO)(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O
InChIInChI=1S/C20H20O5/c1-20(12-21,19(23)24)10-18(22)25-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17,21H,10-12H2,1H3,(H,23,24)
InChIKeyLWHPTUMMLPUSLL-UHFFFAOYSA-N
XLogP2.82
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl 4,4-dimethyl-3-oxopentanoate
CID 59055681
9H-fluoren-9-ylmethyl 3-(hydroxymethyl)-3-methyl-4-oxopentanoate;9H-fluoren-9-ylmethyl 3-methyl-3-[(4-methylphenyl)sulfonyloxymethyl]-4-oxopentanoate;methane
CID 159377405
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4,4-dimethylpentanoic acid
CID 147470453
9H-fluoren-9-ylmethyl 2-aminoacetate
CID 5185129
(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
9H-fluoren-9-ylmethyl 2-phenylacetate
CID 90913061
9H-fluoren-9-ylmethyl 2-amino-2-methylpropanoate
CID 59446298
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-2-methylbutanedioic acid
CID 56924002
9H-fluoren-9-ylmethyl N-(3-hydroxy-2,2-dimethylpropyl)carbamate
CID 102476302
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-3-methylpentanoic acid
CID 149470928

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid (CID 160737681) is 4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid is CC(CO)(CC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid?
The InChIKey is LWHPTUMMLPUSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-20(12-21,19(23)24)10-18(22)25-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17,21H,10-12H2,1H3,(H,23,24).
What are the key properties of 4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid?
4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxy)-2-(hydroxymethyl)-2-methyl-4-oxobutanoic acid is sourced from PubChem (CID 160737681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).