6-(4-Methoxyphenyl)hex-5-YN-1-OL

HCID 14739745
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Basic information

CAS
128599-33-7
Standard SMILES
COc1ccc(C#CCCCCO)cc1
InChIKey
UQAOKADDXZSSGH-UHFFFAOYSA-N
Molecular formula
C13H16O2
Average molar mass
204.26 g/mol
Monoisotopic mass
204.11502975

Names & identifiers

Preferred name
6-(4-Methoxyphenyl)hex-5-YN-1-OL
IUPAC
6-(4-methoxyphenyl)hex-5-yn-1-ol

Names & synonyms

128599-33-76-(4-METHOXYPHENYL)HEX-5-YN-1-OLSCHEMBL9445314DTXSID00563468UQAOKADDXZSSGH-UHFFFAOYSA-N6-(4-methoxyphenyl)-5-hexynyl alcohol

Database identifiers

CAS
128599-33-7
PubChem CID
14739745
DTXSID
DTXSID00563468
Nikkaji
J756.903C

Properties

Computed structural propertiesFilling in

XLogP
2.6
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
15

Related reactions

3 records
New reaction record

Compound notes

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