9H-fluorene;methyl acetate

C16H16O2 — CID 143080534

IUPAC9H-fluorene;methyl acetate
SMILESCOC(C)=O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C3H6O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3(4)5-2/h1-8H,9H2;1-2H3
InChIKeyFSKUPULOIZSROI-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.44
Rot. Bonds

About 9H-fluorene;methyl acetate

9H-fluorene;methyl acetate (PubChem CID 143080534) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 9H-fluorene;methyl acetate.

Molecular Properties

Compound Name9H-fluorene;methyl acetate
PubChem CID143080534
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name9H-fluorene;methyl acetate
SMILESCOC(C)=O.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C3H6O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3(4)5-2/h1-8H,9H2;1-2H3
InChIKeyFSKUPULOIZSROI-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

acetic acid;azane;9H-fluorene
CID 174966259
9H-fluorene;methanesulfonic acid
CID 172770963
9H-fluorene;propanoic acid
CID 67831567
9H-fluorene;oxophosphane
CID 174601741
9H-fluorene;oxozirconium
CID 174355249
chromium;9H-fluorene
CID 161167703
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
cadmium;9H-fluorene
CID 175337736
ethane;9H-fluorene;propanoic acid
CID 90836645
9H-fluorene;formic acid
CID 175878260
9H-fluorene;methyl 1H-pyrazole-4-carboxylate
CID 157291728

Frequently Asked Questions

What is the IUPAC name of 9H-fluorene;methyl acetate?
The IUPAC name of 9H-fluorene;methyl acetate (CID 143080534) is 9H-fluorene;methyl acetate.
What is the SMILES notation for 9H-fluorene;methyl acetate?
The canonical SMILES for 9H-fluorene;methyl acetate is COC(C)=O.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of 9H-fluorene;methyl acetate?
The InChIKey is FSKUPULOIZSROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C3H6O2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-3(4)5-2/h1-8H,9H2;1-2H3.
What are the key properties of 9H-fluorene;methyl acetate?
9H-fluorene;methyl acetate has a molecular weight of 240.30 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluorene;methyl acetate is sourced from PubChem (CID 143080534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).