2-methylpropyl 9-oxofluorene-2-carboxylate

C18H16O3 — CID 24619322

IUPAC2-methylpropyl 9-oxofluorene-2-carboxylate
SMILESCC(C)COC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C18H16O3/c1-11(2)10-21-18(20)12-7-8-14-13-5-3-4-6-15(13)17(19)16(14)9-12/h3-9,11H,10H2,1-2H3
InChIKeyAPRGRHGQQHSSBI-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.71
Rot. Bonds3

About 2-methylpropyl 9-oxofluorene-2-carboxylate

2-methylpropyl 9-oxofluorene-2-carboxylate (PubChem CID 24619322) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-methylpropyl 9-oxofluorene-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 9-oxofluorene-2-carboxylate
PubChem CID24619322
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name2-methylpropyl 9-oxofluorene-2-carboxylate
SMILESCC(C)COC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C18H16O3/c1-11(2)10-21-18(20)12-7-8-14-13-5-3-4-6-15(13)17(19)16(14)9-12/h3-9,11H,10H2,1-2H3
InChIKeyAPRGRHGQQHSSBI-UHFFFAOYSA-N
XLogP3.71
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methoxymethyl 9,10-dioxoanthracene-2-carboxylate
CID 20798432
diethyl 9,10-dioxoanthracene-2,6-dicarboxylate
CID 102008401
prop-2-enyl 9,10-dioxoanthracene-2-carboxylate
CID 59816781
butan-2-yl 9,10-dioxoanthracene-2-carboxylate
CID 59414704
undecyl 9,10-dioxoanthracene-2-carboxylate
CID 86120799
octyl 9,10-dioxoanthracene-2-carboxylate
CID 4522297
hexyl 9,10-dioxoanthracene-2-carboxylate
CID 19860034
11-aminoundecyl 9,10-dioxoanthracene-2-carboxylate
CID 10047817
2-methylpropyl 2-(4-methylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 827675
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 9-oxofluorene-2-carboxylate
CID 55505330
2-methylpropyl 3,4-dichlorobenzoate
CID 82186391
2-methylpropyl 3-aminobenzoate
CID 15914844

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 9-oxofluorene-2-carboxylate?
The IUPAC name of 2-methylpropyl 9-oxofluorene-2-carboxylate (CID 24619322) is 2-methylpropyl 9-oxofluorene-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 9-oxofluorene-2-carboxylate?
The canonical SMILES for 2-methylpropyl 9-oxofluorene-2-carboxylate is CC(C)COC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of 2-methylpropyl 9-oxofluorene-2-carboxylate?
The InChIKey is APRGRHGQQHSSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-11(2)10-21-18(20)12-7-8-14-13-5-3-4-6-15(13)17(19)16(14)9-12/h3-9,11H,10H2,1-2H3.
What are the key properties of 2-methylpropyl 9-oxofluorene-2-carboxylate?
2-methylpropyl 9-oxofluorene-2-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 9-oxofluorene-2-carboxylate is sourced from PubChem (CID 24619322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).