2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol

C17H18O3S — CID 67360830

IUPAC2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol
SMILESO=S1c2ccc(CCO)cc2Cc2cc(CCO)ccc21
InChIInChI=1S/C17H18O3S/c18-7-5-12-1-3-16-14(9-12)11-15-10-13(6-8-19)2-4-17(15)21(16)20/h1-4,9-10,18-19H,5-8,11H2
InChIKeyCNMRDIJZVFWDDN-UHFFFAOYSA-N
MW302.40 g/mol
LogP1.83
Rot. Bonds4

About 2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol

2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol (PubChem CID 67360830) has the molecular formula C17H18O3S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol.

Molecular Properties

Compound Name2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol
PubChem CID67360830
Molecular FormulaC17H18O3S
Molecular Weight302.40 g/mol
Exact Mass302.10
IUPAC Name2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol
SMILESO=S1c2ccc(CCO)cc2Cc2cc(CCO)ccc21
InChIInChI=1S/C17H18O3S/c18-7-5-12-1-3-16-14(9-12)11-15-10-13(6-8-19)2-4-17(15)21(16)20/h1-4,9-10,18-19H,5-8,11H2
InChIKeyCNMRDIJZVFWDDN-UHFFFAOYSA-N
XLogP1.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol 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-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol?
The IUPAC name of 2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol (CID 67360830) is 2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol.
What is the SMILES notation for 2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol?
The canonical SMILES for 2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol is O=S1c2ccc(CCO)cc2Cc2cc(CCO)ccc21.
What is the InChIKey of 2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol?
The InChIKey is CNMRDIJZVFWDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3S/c18-7-5-12-1-3-16-14(9-12)11-15-10-13(6-8-19)2-4-17(15)21(16)20/h1-4,9-10,18-19H,5-8,11H2.
What are the key properties of 2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol?
2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol has a molecular weight of 302.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-hydroxyethyl)-10-oxo-9H-thioxanthen-2-yl]ethanol is sourced from PubChem (CID 67360830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).