3-Dibenz[b,e]oxepin-11(6H)-ylidene-1-propanol

HCID 67069080

Notes Reactions

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Basic information

CAS: 1668-20-8
Standard SMILES: OCCC=C1c2ccccc2COc2ccccc21
InChIKey: FEGNMHYYCAOLIK-UHFFFAOYSA-N
Molecular formula: C17H16O2
Average molar mass: 252.31 g/mol
Monoisotopic mass: 252.11502975

Names & identifiers

Preferred name: 3-Dibenz[b,e]oxepin-11(6H)-ylidene-1-propanol
IUPAC: 3-(6H-benzo[c][1]benzoxepin-11-ylidene)propan-1-ol

Names & synonyms

SCHEMBL1539184FEGNMHYYCAOLIK-UHFFFAOYSA-NDTXSID3012514693-Dibenz[b,e]oxepin-11(6H)-ylidene-1-propanol3-(6H-dibenzo[b,e]oxepin-11-ylidene)-1-propanol3-(Dibenzo[b,e]oxepin-11(6H)-ylidene)propan-1-ol1668-20-8

Database identifiers

CAS: 1668-20-8
PubChem CID: 67069080
DTXSID: DTXSID301251469

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 323

Related reactions

2 records

New reaction record

HRID 688637As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1841281As reactantuspto-grants-2004_01

Compound notes

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