2,3-diethyl-9H-xanthene

C17H18O — CID 174888406

IUPAC2,3-diethyl-9H-xanthene
SMILESCCc1cc2c(cc1CC)Oc1ccccc1C2
InChIInChI=1S/C17H18O/c1-3-12-9-15-10-14-7-5-6-8-16(14)18-17(15)11-13(12)4-2/h5-9,11H,3-4,10H2,1-2H3
InChIKeyNVLKJOVIWPXBCR-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.51
Rot. Bonds2

About 2,3-diethyl-9H-xanthene

2,3-diethyl-9H-xanthene (PubChem CID 174888406) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,3-diethyl-9H-xanthene.

Molecular Properties

Compound Name2,3-diethyl-9H-xanthene
PubChem CID174888406
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2,3-diethyl-9H-xanthene
SMILESCCc1cc2c(cc1CC)Oc1ccccc1C2
InChIInChI=1S/C17H18O/c1-3-12-9-15-10-14-7-5-6-8-16(14)18-17(15)11-13(12)4-2/h5-9,11H,3-4,10H2,1-2H3
InChIKeyNVLKJOVIWPXBCR-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3-diethyl-9H-xanthene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-9H-xanthene?
The IUPAC name of 2,3-diethyl-9H-xanthene (CID 174888406) is 2,3-diethyl-9H-xanthene.
What is the SMILES notation for 2,3-diethyl-9H-xanthene?
The canonical SMILES for 2,3-diethyl-9H-xanthene is CCc1cc2c(cc1CC)Oc1ccccc1C2.
What is the InChIKey of 2,3-diethyl-9H-xanthene?
The InChIKey is NVLKJOVIWPXBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-3-12-9-15-10-14-7-5-6-8-16(14)18-17(15)11-13(12)4-2/h5-9,11H,3-4,10H2,1-2H3.
What are the key properties of 2,3-diethyl-9H-xanthene?
2,3-diethyl-9H-xanthene has a molecular weight of 238.33 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-9H-xanthene is sourced from PubChem (CID 174888406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).