2-[4-Hydroxy-3-(3-oxapentanoyl)phenyl]propan-1-ol

HCID 21322012
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Basic information

Standard SMILES
CCOCC(=O)c1cc(C(C)CO)ccc1O
InChIKey
QGPZDAHWXRLWPO-UHFFFAOYSA-N
Molecular formula
C13H18O4
Average molar mass
238.28 g/mol

Names & identifiers

Preferred name
2-[4-Hydroxy-3-(3-oxapentanoyl)phenyl]propan-1-ol
IUPAC
2-ethoxy-1-[2-hydroxy-5-(1-hydroxypropan-2-yl)phenyl]ethanone

Names & synonyms

SCHEMBL11561828QGPZDAHWXRLWPO-UHFFFAOYSA-N2-[4-hydroxy-3-(3-oxapentanoyl)phenyl]propan-1-ol

Database identifiers

PubChem CID
21322012

Properties

Computed structural properties

XLogP
2
Topological polar surface area
66.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
17

Related reactions

2 records
New reaction record

Linked notes

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