2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid

C18H16O4 — CID 102547292

IUPAC2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)CC(C(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H16O4/c1-22-16(19)10-15(18(20)21)17-13-8-4-2-6-11(13)12-7-3-5-9-14(12)17/h2-9,15,17H,10H2,1H3,(H,20,21)
InChIKeyOGHNHKIYMZIMGI-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.06
Rot. Bonds4

About 2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid

2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid (PubChem CID 102547292) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid
PubChem CID102547292
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid
SMILESCOC(=O)CC(C(=O)O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H16O4/c1-22-16(19)10-15(18(20)21)17-13-8-4-2-6-11(13)12-7-3-5-9-14(12)17/h2-9,15,17H,10H2,1H3,(H,20,21)
InChIKeyOGHNHKIYMZIMGI-UHFFFAOYSA-N
XLogP3.06
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-(9H-fluoren-9-ylmethoxy)-4-oxo-2-propan-2-ylbutanoic acid
CID 159963663
methyl (3S)-3-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoate
CID 11784622
2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-methoxy-4,6-dioxohexanoic acid
CID 143400713
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
(4R)-4-(9H-fluoren-9-yl)-4-phenylbutan-2-one
CID 7385778
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobutanoic acid
CID 14559129
4-O-(9H-fluoren-9-ylmethyl) 1-O-methyl (2R)-2-(sulfanylmethyl)butanedioate
CID 159838326
methyl 3-benzoyl-4-oxo-4-phenylbutanoate
CID 10979354
methyl 3-benzamidobutanoate
CID 10857046
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxy-4-oxobutane-1-sulfonic acid
CID 129219801
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxy-4-oxobutane-1-sulfonic acid
CID 129204697
(2S)-2-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]-4,4-dimethylpentanoic acid
CID 147470453

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid?
The IUPAC name of 2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid (CID 102547292) is 2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid?
The canonical SMILES for 2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid is COC(=O)CC(C(=O)O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid?
The InChIKey is OGHNHKIYMZIMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-22-16(19)10-15(18(20)21)17-13-8-4-2-6-11(13)12-7-3-5-9-14(12)17/h2-9,15,17H,10H2,1H3,(H,20,21).
What are the key properties of 2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid?
2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid has a molecular weight of 296.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-yl)-4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 102547292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).