3-ethoxyphenoxathiine

C14H12O2S — CID 18687728

IUPAC3-ethoxyphenoxathiine
SMILESCCOc1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C14H12O2S/c1-2-15-10-7-8-14-12(9-10)16-11-5-3-4-6-13(11)17-14/h3-9H,2H2,1H3
InChIKeyFCDUJMMNKCACBR-UHFFFAOYSA-N
MW244.31 g/mol
LogP4.34
Rot. Bonds2

About 3-ethoxyphenoxathiine

3-ethoxyphenoxathiine (PubChem CID 18687728) has the molecular formula C14H12O2S and a molecular weight of 244.31 g/mol. Its IUPAC name is 3-ethoxyphenoxathiine.

Molecular Properties

Compound Name3-ethoxyphenoxathiine
PubChem CID18687728
Molecular FormulaC14H12O2S
Molecular Weight244.31 g/mol
Exact Mass244.06
IUPAC Name3-ethoxyphenoxathiine
SMILESCCOc1ccc2c(c1)Oc1ccccc1S2
InChIInChI=1S/C14H12O2S/c1-2-15-10-7-8-14-12(9-10)16-11-5-3-4-6-13(11)17-14/h3-9H,2H2,1H3
InChIKeyFCDUJMMNKCACBR-UHFFFAOYSA-N
XLogP4.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-ethoxyphenoxathiine with MolForge

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

Launch Full Analysis

Related Compounds

3-[(2-methylpropan-2-yl)oxy]phenoxathiine
CID 18687734
3-ethoxy-9H-xanthen-9-amine
CID 20793754
4-ethoxy-2-hydroxybenzoic acid;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;zinc
CID 88663945
2-ethoxynaphthalene
CID 118978197
3-ethoxy-4-(2-oxo-2-phenoxathiin-2-ylethoxy)benzaldehyde
CID 86101932
6-bromo-2-oxa-9,16-dithiatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3(8),4,6,10,12,14,17,19-nonaene
CID 10691601
5-ethoxy-2-methyl-1-benzofuran
CID 18726834
2,3-dihydro-1,4-benzoxathiin-2-yl-(3-ethoxyphenyl)methanamine
CID 106601327
ethoxyethane;2-ethoxynaphthalene
CID 118982387
6-ethoxy-2,3-dihydro-1-benzofuran-3-ol
CID 63096598
2,6-diethoxyanthracene
CID 12651989
2-ethoxydibenzothiophene
CID 102527162

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyphenoxathiine?
The IUPAC name of 3-ethoxyphenoxathiine (CID 18687728) is 3-ethoxyphenoxathiine.
What is the SMILES notation for 3-ethoxyphenoxathiine?
The canonical SMILES for 3-ethoxyphenoxathiine is CCOc1ccc2c(c1)Oc1ccccc1S2.
What is the InChIKey of 3-ethoxyphenoxathiine?
The InChIKey is FCDUJMMNKCACBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c1-2-15-10-7-8-14-12(9-10)16-11-5-3-4-6-13(11)17-14/h3-9H,2H2,1H3.
What are the key properties of 3-ethoxyphenoxathiine?
3-ethoxyphenoxathiine has a molecular weight of 244.31 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyphenoxathiine is sourced from PubChem (CID 18687728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).