5-Methoxy-4-phenyl-pentane-1,2,4-triol

HCID 59635658
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Basic information

CAS
1114573-42-0
Standard SMILES
COCC(O)(CC(O)CO)c1ccccc1
InChIKey
CNYJVIOBBVQRKH-UHFFFAOYSA-N
Molecular formula
C12H18O4
Average molar mass
226.27 g/mol
Monoisotopic mass
226.12050906

Names & identifiers

Preferred name
5-Methoxy-4-phenyl-pentane-1,2,4-triol
IUPAC
5-methoxy-4-phenylpentane-1,2,4-triol

Names & synonyms

5-methoxy-4-phenyl-pentane-1,2,4-triolSCHEMBL118901CNYJVIOBBVQRKH-UHFFFAOYSA-NDTXSID6012867043-Deoxy-1-O-methyl-2-C-phenylpentitol1114573-42-0

Database identifiers

CAS
1114573-42-0
PubChem CID
59635658
DTXSID
DTXSID601286704

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
69.9 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
16

Related reactions

12 records
New reaction record

Compound notes

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