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3-(5'-Isopropyl-2'-methoxy-biphenyl-4-yl)-but-2-en-1-ol

HCID 69796935
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(C)C)cc1-c1ccc(C(C)=CCO)cc1
InChIKey
LKPGBTSRTBIAMH-UHFFFAOYSA-N
Molecular formula
C20H24O2
Average molar mass
296.4 g/mol
Monoisotopic mass
296.17763

Names & identifiers

Preferred name
3-(5'-Isopropyl-2'-methoxy-biphenyl-4-yl)-but-2-en-1-ol
IUPAC
3-[4-(2-methoxy-5-propan-2-ylphenyl)phenyl]but-2-en-1-ol

Names & synonyms

SCHEMBL6485761LKPGBTSRTBIAMH-UHFFFAOYSA-N3-(5'-isopropyl-2'-methoxy-biphenyl-4-yl)-but-2-en-1-ol

Database identifiers

PubChem CID
69796935

Properties

Computed structural properties

XLogP
5
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
22
Formal charge
0
Complexity
353

Related reactions

6 records
New reaction record
HRID 984320 reaction equation
HRID 984320As productuspto-grants-2005_03
HRID 984321 reaction equation
HRID 984321As reactantuspto-grants-2005_03
HRID 1268264 reaction equation
HRID 1268264As productuspto-grants-2003_04
HRID 1268265 reaction equation
HRID 1268265As reactantuspto-grants-2003_04
HRID 1570334 reaction equation
HRID 1570334As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2339820 reaction equation
HRID 2339820As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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