2-ethoxydibenzothiophene

C14H12OS — CID 102527162

IUPAC2-ethoxydibenzothiophene
SMILESCCOc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C14H12OS/c1-2-15-10-7-8-14-12(9-10)11-5-3-4-6-13(11)16-14/h3-9H,2H2,1H3
InChIKeyANEHVBYZAKQCNF-UHFFFAOYSA-N
MW228.32 g/mol
LogP4.45
Rot. Bonds2

About 2-ethoxydibenzothiophene

2-ethoxydibenzothiophene (PubChem CID 102527162) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-ethoxydibenzothiophene.

Molecular Properties

Compound Name2-ethoxydibenzothiophene
PubChem CID102527162
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name2-ethoxydibenzothiophene
SMILESCCOc1ccc2sc3ccccc3c2c1
InChIInChI=1S/C14H12OS/c1-2-15-10-7-8-14-12(9-10)11-5-3-4-6-13(11)16-14/h3-9H,2H2,1H3
InChIKeyANEHVBYZAKQCNF-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxythioxanthen-9-one
CID 14150410
2-ethoxy-8-methoxydibenzothiophene
CID 172565133
2,8-dipentoxydibenzothiophene
CID 141427401
2-naphthalen-2-yloxydibenzothiophene
CID 14642240
5-ethoxy-3-fluoro-1-benzothiophen-2-ol
CID 130956912
bis(dibenzothiophene);ethane
CID 143921746
N-[2-[8-[2-(dipropylamino)ethoxy]dibenzothiophen-2-yl]oxyethyl]-N-propylpropan-1-amine
CID 67163885
2-(3-hydroxypropoxy)thioxanthen-9-one
CID 143903572
anthracene;dibenzothiophene;nonadecane
CID 87963246
2-[4-[4-(4-ethylphenyl)phenyl]phenyl]dibenzothiophene
CID 126745943
2-ethoxynaphthalene
CID 118978197
dibenzothiophene;methane
CID 162233710

Frequently Asked Questions

What is the IUPAC name of 2-ethoxydibenzothiophene?
The IUPAC name of 2-ethoxydibenzothiophene (CID 102527162) is 2-ethoxydibenzothiophene.
What is the SMILES notation for 2-ethoxydibenzothiophene?
The canonical SMILES for 2-ethoxydibenzothiophene is CCOc1ccc2sc3ccccc3c2c1.
What is the InChIKey of 2-ethoxydibenzothiophene?
The InChIKey is ANEHVBYZAKQCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS/c1-2-15-10-7-8-14-12(9-10)11-5-3-4-6-13(11)16-14/h3-9H,2H2,1H3.
What are the key properties of 2-ethoxydibenzothiophene?
2-ethoxydibenzothiophene has a molecular weight of 228.32 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxydibenzothiophene is sourced from PubChem (CID 102527162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).