1-(4-(3-Hydroxypropoxy)-3,5-dimethoxyphenyl)ethanone

HCID 89619682
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Basic information

Standard SMILES
COc1cc(C(C)=O)cc(OC)c1OCCCO
InChIKey
NKUOIPSHQURGNO-UHFFFAOYSA-N
Molecular formula
C13H18O5
Average molar mass
254.28 g/mol
Monoisotopic mass
254.11542367

Names & identifiers

Preferred name
1-(4-(3-Hydroxypropoxy)-3,5-dimethoxyphenyl)ethanone
IUPAC
1-[4-(3-hydroxypropoxy)-3,5-dimethoxyphenyl]ethanone

Names & synonyms

SCHEMBL15018924NKUOIPSHQURGNO-UHFFFAOYSA-N1-(4-(3-hydroxypropoxy)-3,5-dimethoxyphenyl)ethanone

Database identifiers

PubChem CID
89619682

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
65 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
18

Related reactions

1 records
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Compound notes

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