propan-2-yl 9-acetyloxyfluorene-9-carboxylate

C19H18O4 — CID 21241009

IUPACpropan-2-yl 9-acetyloxyfluorene-9-carboxylate
SMILESCC(=O)OC1(C(=O)OC(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H18O4/c1-12(2)22-18(21)19(23-13(3)20)16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-12H,1-3H3
InChIKeyVPHPLOFARREXBO-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.43
Rot. Bonds3

About propan-2-yl 9-acetyloxyfluorene-9-carboxylate

propan-2-yl 9-acetyloxyfluorene-9-carboxylate (PubChem CID 21241009) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is propan-2-yl 9-acetyloxyfluorene-9-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 9-acetyloxyfluorene-9-carboxylate
PubChem CID21241009
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Namepropan-2-yl 9-acetyloxyfluorene-9-carboxylate
SMILESCC(=O)OC1(C(=O)OC(C)C)c2ccccc2-c2ccccc21
InChIInChI=1S/C19H18O4/c1-12(2)22-18(21)19(23-13(3)20)16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-12H,1-3H3
InChIKeyVPHPLOFARREXBO-UHFFFAOYSA-N
XLogP3.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 9-acetyloxyfluorene-9-carboxylate?
The IUPAC name of propan-2-yl 9-acetyloxyfluorene-9-carboxylate (CID 21241009) is propan-2-yl 9-acetyloxyfluorene-9-carboxylate.
What is the SMILES notation for propan-2-yl 9-acetyloxyfluorene-9-carboxylate?
The canonical SMILES for propan-2-yl 9-acetyloxyfluorene-9-carboxylate is CC(=O)OC1(C(=O)OC(C)C)c2ccccc2-c2ccccc21.
What is the InChIKey of propan-2-yl 9-acetyloxyfluorene-9-carboxylate?
The InChIKey is VPHPLOFARREXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-12(2)22-18(21)19(23-13(3)20)16-10-6-4-8-14(16)15-9-5-7-11-17(15)19/h4-12H,1-3H3.
What are the key properties of propan-2-yl 9-acetyloxyfluorene-9-carboxylate?
propan-2-yl 9-acetyloxyfluorene-9-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 9-acetyloxyfluorene-9-carboxylate is sourced from PubChem (CID 21241009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).