2-[(1,3,4,5-Tetrahydro-7,8-dimethoxy-2-benzoxepin-1-yl)methoxy]ethyl chloride

HCID 12669331
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Basic information

Standard SMILES
COc1cc2c(cc1OC)C(COCCCl)OCCC2
InChIKey
NOLIYHPXDXHPGH-UHFFFAOYSA-N
Molecular formula
C15H21ClO4
Average molar mass
300.78 g/mol

Names & identifiers

Preferred name
2-[(1,3,4,5-Tetrahydro-7,8-dimethoxy-2-benzoxepin-1-yl)methoxy]ethyl chloride
IUPAC
1-(2-chloroethoxymethyl)-7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepine

Names & synonyms

SCHEMBL11217894NOLIYHPXDXHPGH-UHFFFAOYSA-N2-[(1,3,4,5-tetrahydro-7,8-dimethoxy-2-benzoxepin-1-yl)methoxy]ethyl chloride

Database identifiers

PubChem CID
12669331

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
36.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
20

Related reactions

3 records
New reaction record

Compound notes

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2-[(1,3,4,5-Tetrahydro-7,8-dimethoxy-2-benzoxepin-1-yl)methoxy]ethyl chloride (HCID 12669331)｜Huagongshe