9H-fluoren-9-ylmethyl 3-methylbutanoate

C19H20O2 — CID 22020159

IUPAC9H-fluoren-9-ylmethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O2/c1-13(2)11-19(20)21-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18H,11-12H2,1-2H3
InChIKeyDPHKUWFYURIUPZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.39
Rot. Bonds4

About 9H-fluoren-9-ylmethyl 3-methylbutanoate

9H-fluoren-9-ylmethyl 3-methylbutanoate (PubChem CID 22020159) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 3-methylbutanoate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 3-methylbutanoate
PubChem CID22020159
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name9H-fluoren-9-ylmethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C19H20O2/c1-13(2)11-19(20)21-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18H,11-12H2,1-2H3
InChIKeyDPHKUWFYURIUPZ-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 3-methylbutanoate?
The IUPAC name of 9H-fluoren-9-ylmethyl 3-methylbutanoate (CID 22020159) is 9H-fluoren-9-ylmethyl 3-methylbutanoate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 3-methylbutanoate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 3-methylbutanoate is CC(C)CC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl 3-methylbutanoate?
The InChIKey is DPHKUWFYURIUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-13(2)11-19(20)21-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl 3-methylbutanoate?
9H-fluoren-9-ylmethyl 3-methylbutanoate has a molecular weight of 280.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 3-methylbutanoate is sourced from PubChem (CID 22020159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).