2-methyl-3H-xanthene

C14H12O — CID 91540179

IUPAC2-methyl-3H-xanthene
SMILESCC1=CC2=Cc3ccccc3OC2=CC1
InChIInChI=1S/C14H12O/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)15-14/h2-5,7-9H,6H2,1H3
InChIKeyOSRNQFNAEBIYME-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.70
Rot. Bonds

About 2-methyl-3H-xanthene

2-methyl-3H-xanthene (PubChem CID 91540179) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-methyl-3H-xanthene.

Molecular Properties

Compound Name2-methyl-3H-xanthene
PubChem CID91540179
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name2-methyl-3H-xanthene
SMILESCC1=CC2=Cc3ccccc3OC2=CC1
InChIInChI=1S/C14H12O/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)15-14/h2-5,7-9H,6H2,1H3
InChIKeyOSRNQFNAEBIYME-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-xanthene?
The IUPAC name of 2-methyl-3H-xanthene (CID 91540179) is 2-methyl-3H-xanthene.
What is the SMILES notation for 2-methyl-3H-xanthene?
The canonical SMILES for 2-methyl-3H-xanthene is CC1=CC2=Cc3ccccc3OC2=CC1.
What is the InChIKey of 2-methyl-3H-xanthene?
The InChIKey is OSRNQFNAEBIYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)15-14/h2-5,7-9H,6H2,1H3.
What are the key properties of 2-methyl-3H-xanthene?
2-methyl-3H-xanthene has a molecular weight of 196.25 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-xanthene is sourced from PubChem (CID 91540179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).