Basic information
- CAS
86223-08-7- Standard SMILES
O=C1c2cc(CCCCO)ccc2OCc2ccsc21- InChIKey
IPHKVWAKDXKJRE-UHFFFAOYSA-N- Molecular formula
- C16H16O3S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.08201554
Overview
RN & structure given in first source; RN not in Chemline 4/84
Names & identifiers
- Preferred name
- 4-(4,10-Dihydro-10-oxothieno(3,2-c)(1)-benzoxepin-8-yl)butanol
- IUPAC
- 8-(4-hydroxybutyl)-4H-thieno[3,2-c][1]benzoxepin-10-one
- English name
- 4-(4,10-dihydro-10-oxothieno(3,2-c)(1)-benzoxepin-8-yl)butanol
- Molecular formula
- C16H16O3S
- Molecular weight
- 288.36
Names & synonyms
4-Dobbo86223-08-74-(4,10-Dihydro-10-oxothieno(3,2-c)(1)-benzoxepin-8-yl)butanolDTXSID50235446RefChem:97178DTXCID50157937HP-573CHEMBL338454SCHEMBL9214312IPHKVWAKDXKJRE-UHFFFAOYSA-N8-(4-Hydroxybutyl)thieno[3,2-c][1]benzoxepin-10(4H)-one4-(4,10-dihydro-10-oxothieno[3,2-c][1]benzoxepin-8-yl)butanol
Show more names
Thieno[3,2-c][1]benzoxepin-10(4H)-one, 8-(4-hydroxybutyl)-
Thieno(3,2-c)(1)benzoxepin-10(4H)-one, 8-(4-hydroxybutyl)-
Database identifiers
- CAS
86223-08-7- PubChem CID
- 135166
- DTXSID
DTXSID50235446- ChEMBL
CHEMBL338454
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 347
Related reactions
3 records
Compound notes
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