2,7-diethoxyfluoren-9-one

C17H16O3 — CID 4091256

IUPAC2,7-diethoxyfluoren-9-one
SMILESCCOc1ccc2c(c1)C(=O)c1cc(OCC)ccc1-2
InChIInChI=1S/C17H16O3/c1-3-19-11-5-7-13-14-8-6-12(20-4-2)10-16(14)17(18)15(13)9-11/h5-10H,3-4H2,1-2H3
InChIKeyPOVCQXIJGRFGTF-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.70
Rot. Bonds4

About 2,7-diethoxyfluoren-9-one

2,7-diethoxyfluoren-9-one (PubChem CID 4091256) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2,7-diethoxyfluoren-9-one.

Molecular Properties

Compound Name2,7-diethoxyfluoren-9-one
PubChem CID4091256
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name2,7-diethoxyfluoren-9-one
SMILESCCOc1ccc2c(c1)C(=O)c1cc(OCC)ccc1-2
InChIInChI=1S/C17H16O3/c1-3-19-11-5-7-13-14-8-6-12(20-4-2)10-16(14)17(18)15(13)9-11/h5-10H,3-4H2,1-2H3
InChIKeyPOVCQXIJGRFGTF-UHFFFAOYSA-N
XLogP3.70
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-diethoxyfluoren-9-one?
The IUPAC name of 2,7-diethoxyfluoren-9-one (CID 4091256) is 2,7-diethoxyfluoren-9-one.
What is the SMILES notation for 2,7-diethoxyfluoren-9-one?
The canonical SMILES for 2,7-diethoxyfluoren-9-one is CCOc1ccc2c(c1)C(=O)c1cc(OCC)ccc1-2.
What is the InChIKey of 2,7-diethoxyfluoren-9-one?
The InChIKey is POVCQXIJGRFGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c1-3-19-11-5-7-13-14-8-6-12(20-4-2)10-16(14)17(18)15(13)9-11/h5-10H,3-4H2,1-2H3.
What are the key properties of 2,7-diethoxyfluoren-9-one?
2,7-diethoxyfluoren-9-one has a molecular weight of 268.31 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethoxyfluoren-9-one is sourced from PubChem (CID 4091256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).