9,9-diethylxanthene

C17H18O — CID 22447430

IUPAC9,9-diethylxanthene
SMILESCCC1(CC)c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H18O/c1-3-17(4-2)13-9-5-7-11-15(13)18-16-12-8-6-10-14(16)17/h5-12H,3-4H2,1-2H3
InChIKeyZWTFMZKQGQDDPB-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.90
Rot. Bonds2

About 9,9-diethylxanthene

9,9-diethylxanthene (PubChem CID 22447430) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 9,9-diethylxanthene.

Molecular Properties

Compound Name9,9-diethylxanthene
PubChem CID22447430
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name9,9-diethylxanthene
SMILESCCC1(CC)c2ccccc2Oc2ccccc21
InChIInChI=1S/C17H18O/c1-3-17(4-2)13-9-5-7-11-15(13)18-16-12-8-6-10-14(16)17/h5-12H,3-4H2,1-2H3
InChIKeyZWTFMZKQGQDDPB-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-diethylxanthene?
The IUPAC name of 9,9-diethylxanthene (CID 22447430) is 9,9-diethylxanthene.
What is the SMILES notation for 9,9-diethylxanthene?
The canonical SMILES for 9,9-diethylxanthene is CCC1(CC)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9,9-diethylxanthene?
The InChIKey is ZWTFMZKQGQDDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-3-17(4-2)13-9-5-7-11-15(13)18-16-12-8-6-10-14(16)17/h5-12H,3-4H2,1-2H3.
What are the key properties of 9,9-diethylxanthene?
9,9-diethylxanthene has a molecular weight of 238.33 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diethylxanthene is sourced from PubChem (CID 22447430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).