1,2-dimethyl-9H-xanthene

C15H14O — CID 3016191

IUPAC1,2-dimethyl-9H-xanthene
SMILESCc1ccc2c(c1C)Cc1ccccc1O2
InChIInChI=1S/C15H14O/c1-10-7-8-15-13(11(10)2)9-12-5-3-4-6-14(12)16-15/h3-8H,9H2,1-2H3
InChIKeyPQPVYEDTTQIKIA-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.00
Rot. Bonds

About 1,2-dimethyl-9H-xanthene

1,2-dimethyl-9H-xanthene (PubChem CID 3016191) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1,2-dimethyl-9H-xanthene.

Molecular Properties

Compound Name1,2-dimethyl-9H-xanthene
PubChem CID3016191
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1,2-dimethyl-9H-xanthene
SMILESCc1ccc2c(c1C)Cc1ccccc1O2
InChIInChI=1S/C15H14O/c1-10-7-8-15-13(11(10)2)9-12-5-3-4-6-14(12)16-15/h3-8H,9H2,1-2H3
InChIKeyPQPVYEDTTQIKIA-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 1,2-dimethyl-9H-xanthene?
The IUPAC name of 1,2-dimethyl-9H-xanthene (CID 3016191) is 1,2-dimethyl-9H-xanthene.
What is the SMILES notation for 1,2-dimethyl-9H-xanthene?
The canonical SMILES for 1,2-dimethyl-9H-xanthene is Cc1ccc2c(c1C)Cc1ccccc1O2.
What is the InChIKey of 1,2-dimethyl-9H-xanthene?
The InChIKey is PQPVYEDTTQIKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-10-7-8-15-13(11(10)2)9-12-5-3-4-6-14(12)16-15/h3-8H,9H2,1-2H3.
What are the key properties of 1,2-dimethyl-9H-xanthene?
1,2-dimethyl-9H-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 1,2-dimethyl-9H-xanthene is sourced from PubChem (CID 3016191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).