2,7-dimethyl-3H-xanthene

C15H14O — CID 54345307

IUPAC2,7-dimethyl-3H-xanthene
SMILESCC1=CC2=Cc3cc(C)ccc3OC2=CC1
InChIInChI=1S/C15H14O/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)16-14/h3,5-9H,4H2,1-2H3
InChIKeyNIFFKAYJAHYNLN-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.00
Rot. Bonds

About 2,7-dimethyl-3H-xanthene

2,7-dimethyl-3H-xanthene (PubChem CID 54345307) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2,7-dimethyl-3H-xanthene.

Molecular Properties

Compound Name2,7-dimethyl-3H-xanthene
PubChem CID54345307
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name2,7-dimethyl-3H-xanthene
SMILESCC1=CC2=Cc3cc(C)ccc3OC2=CC1
InChIInChI=1S/C15H14O/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)16-14/h3,5-9H,4H2,1-2H3
InChIKeyNIFFKAYJAHYNLN-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3H-xanthene?
The IUPAC name of 2,7-dimethyl-3H-xanthene (CID 54345307) is 2,7-dimethyl-3H-xanthene.
What is the SMILES notation for 2,7-dimethyl-3H-xanthene?
The canonical SMILES for 2,7-dimethyl-3H-xanthene is CC1=CC2=Cc3cc(C)ccc3OC2=CC1.
What is the InChIKey of 2,7-dimethyl-3H-xanthene?
The InChIKey is NIFFKAYJAHYNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-10-3-5-14-12(7-10)9-13-8-11(2)4-6-15(13)16-14/h3,5-9H,4H2,1-2H3.
What are the key properties of 2,7-dimethyl-3H-xanthene?
2,7-dimethyl-3H-xanthene has a molecular weight of 210.28 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3H-xanthene is sourced from PubChem (CID 54345307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).