1,4-Bis(3-Hydroxyphenoxy)Butane

HCID 20095959
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Basic information

CAS
58529-75-2
Standard SMILES
Oc1cccc(OCCCCOc2cccc(O)c2)c1
InChIKey
LEGMFZFWGSNLBB-UHFFFAOYSA-N
Molecular formula
C16H18O4
Average molar mass
274.31 g/mol
Monoisotopic mass
274.12050905

Names & identifiers

Preferred name
1,4-Bis(3-Hydroxyphenoxy)Butane
IUPAC
3-[4-(3-hydroxyphenoxy)butoxy]phenol

Names & synonyms

58529-75-21,4-Bis(3-Hydroxyphenoxy)ButaneSCHEMBL7089196DTXSID80602344LEGMFZFWGSNLBB-UHFFFAOYSA-N3,3'-[Butane-1,4-diylbis(oxy)]diphenol

Database identifiers

CAS
58529-75-2
PubChem CID
20095959
DTXSID
DTXSID80602344
Nikkaji
J1.341.788A

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
58.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
20

Related reactions

2 records
New reaction record

Compound notes

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