3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin

HCID 55148

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Basic information

CAS: 83807-06-1
Standard SMILES: COc1ccc2c(c1)Sc1ccccc1C(C)=C2c1ccccc1
InChIKey: VJNUNTNIJMOPAL-UHFFFAOYSA-N
Molecular formula: C22H18OS
Average molar mass: 330.4 g/mol
Monoisotopic mass: 330.10783637

Names & identifiers

Preferred name: 3-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepin
IUPAC: 2-methoxy-6-methyl-5-phenylbenzo[b][1]benzothiepine

Names & synonyms

DIBENZO(b,f)THIEPIN, 3-METHOXY-10-METHYL-11-PHENYL-BRN 55817594LR69V81213-Methoxy-10-methyl-11-phenyldibenzo(b,f)thiepinUNII-4LR69V8121DTXSID202326893-Methoxy-10-methyl-11-phenyl dibenzo(b,f)thiepinRefChem:198324DTXCID0015518083807-06-13-methoxy-10-methyl-11-phenyldibenzo[b,f]thiepineVJNUNTNIJMOPAL-UHFFFAOYSA-N

Show more names

7-methoxy-11-methyl-10-phenyldibenzo[b,f]thiepin

Database identifiers

CAS: 83807-06-1
PubChem CID: 55148
DTXSID: DTXSID20232689
UNII: 4LR69V8121

Properties

Computed structural properties

XLogP: 5.5
Topological polar surface area: 34.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 24
Formal charge: 0
Complexity: 465

Related reactions

1 records

New reaction record

HRID 2296912As productuspto-grants-2002_12

Compound notes

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