propan-2-yl 9-oxofluorene-1-carboxylate

C17H14O3 — CID 2802309

IUPACpropan-2-yl 9-oxofluorene-1-carboxylate
SMILESCC(C)OC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C17H14O3/c1-10(2)20-17(19)14-9-5-8-12-11-6-3-4-7-13(11)16(18)15(12)14/h3-10H,1-2H3
InChIKeyLBUUKYIDRIWTBT-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.46
Rot. Bonds2

About propan-2-yl 9-oxofluorene-1-carboxylate

propan-2-yl 9-oxofluorene-1-carboxylate (PubChem CID 2802309) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is propan-2-yl 9-oxofluorene-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 9-oxofluorene-1-carboxylate
PubChem CID2802309
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Namepropan-2-yl 9-oxofluorene-1-carboxylate
SMILESCC(C)OC(=O)c1cccc2c1C(=O)c1ccccc1-2
InChIInChI=1S/C17H14O3/c1-10(2)20-17(19)14-9-5-8-12-11-6-3-4-7-13(11)16(18)15(12)14/h3-10H,1-2H3
InChIKeyLBUUKYIDRIWTBT-UHFFFAOYSA-N
XLogP3.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 9-oxofluorene-1-carboxylate?
The IUPAC name of propan-2-yl 9-oxofluorene-1-carboxylate (CID 2802309) is propan-2-yl 9-oxofluorene-1-carboxylate.
What is the SMILES notation for propan-2-yl 9-oxofluorene-1-carboxylate?
The canonical SMILES for propan-2-yl 9-oxofluorene-1-carboxylate is CC(C)OC(=O)c1cccc2c1C(=O)c1ccccc1-2.
What is the InChIKey of propan-2-yl 9-oxofluorene-1-carboxylate?
The InChIKey is LBUUKYIDRIWTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c1-10(2)20-17(19)14-9-5-8-12-11-6-3-4-7-13(11)16(18)15(12)14/h3-10H,1-2H3.
What are the key properties of propan-2-yl 9-oxofluorene-1-carboxylate?
propan-2-yl 9-oxofluorene-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 9-oxofluorene-1-carboxylate is sourced from PubChem (CID 2802309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).