9,9-dimethylxanthene

C15H14O — CID 606997

IUPAC9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3
InChIKeyMTVNAPYHLASOSX-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.12
Rot. Bonds

About 9,9-dimethylxanthene

9,9-dimethylxanthene (PubChem CID 606997) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 9,9-dimethylxanthene.

Molecular Properties

Compound Name9,9-dimethylxanthene
PubChem CID606997
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name9,9-dimethylxanthene
SMILESCC1(C)c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3
InChIKeyMTVNAPYHLASOSX-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylxanthene?
The IUPAC name of 9,9-dimethylxanthene (CID 606997) is 9,9-dimethylxanthene.
What is the SMILES notation for 9,9-dimethylxanthene?
The canonical SMILES for 9,9-dimethylxanthene is CC1(C)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9,9-dimethylxanthene?
The InChIKey is MTVNAPYHLASOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15/h3-10H,1-2H3.
What are the key properties of 9,9-dimethylxanthene?
9,9-dimethylxanthene has a molecular weight of 210.28 g/mol, XLogP of 4.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylxanthene is sourced from PubChem (CID 606997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).