4,5-dimethyl-2,9-dihydro-1H-xanthene

C15H16O — CID 163641036

IUPAC4,5-dimethyl-2,9-dihydro-1H-xanthene
SMILESCC1=CCCC2=C1Oc1c(C)cccc1C2
InChIInChI=1S/C15H16O/c1-10-5-3-7-12-9-13-8-4-6-11(2)15(13)16-14(10)12/h3,5-7H,4,8-9H2,1-2H3
InChIKeyIEGRMMZCHHHJMZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.92
Rot. Bonds

About 4,5-dimethyl-2,9-dihydro-1H-xanthene

4,5-dimethyl-2,9-dihydro-1H-xanthene (PubChem CID 163641036) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 4,5-dimethyl-2,9-dihydro-1H-xanthene.

Molecular Properties

Compound Name4,5-dimethyl-2,9-dihydro-1H-xanthene
PubChem CID163641036
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name4,5-dimethyl-2,9-dihydro-1H-xanthene
SMILESCC1=CCCC2=C1Oc1c(C)cccc1C2
InChIInChI=1S/C15H16O/c1-10-5-3-7-12-9-13-8-4-6-11(2)15(13)16-14(10)12/h3,5-7H,4,8-9H2,1-2H3
InChIKeyIEGRMMZCHHHJMZ-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2,9-dihydro-1H-xanthene?
The IUPAC name of 4,5-dimethyl-2,9-dihydro-1H-xanthene (CID 163641036) is 4,5-dimethyl-2,9-dihydro-1H-xanthene.
What is the SMILES notation for 4,5-dimethyl-2,9-dihydro-1H-xanthene?
The canonical SMILES for 4,5-dimethyl-2,9-dihydro-1H-xanthene is CC1=CCCC2=C1Oc1c(C)cccc1C2.
What is the InChIKey of 4,5-dimethyl-2,9-dihydro-1H-xanthene?
The InChIKey is IEGRMMZCHHHJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-10-5-3-7-12-9-13-8-4-6-11(2)15(13)16-14(10)12/h3,5-7H,4,8-9H2,1-2H3.
What are the key properties of 4,5-dimethyl-2,9-dihydro-1H-xanthene?
4,5-dimethyl-2,9-dihydro-1H-xanthene has a molecular weight of 212.29 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2,9-dihydro-1H-xanthene is sourced from PubChem (CID 163641036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).