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(6-Chloro-2',6'-dimethylbiphenyl-3-yl)methanol

HCID 57787362
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cccc(C)c1-c1cc(CO)ccc1Cl
InChIKey
GUZFJZGFXBIXCI-UHFFFAOYSA-N
Molecular formula
C15H15ClO
Average molar mass
246.73 g/mol

Names & identifiers

Preferred name
(6-Chloro-2',6'-dimethylbiphenyl-3-yl)methanol
IUPAC
[4-chloro-3-(2,6-dimethylphenyl)phenyl]methanol

Names & synonyms

SCHEMBL2025782GUZFJZGFXBIXCI-UHFFFAOYSA-N(6-chloro-2',6'-dimethylbiphenyl-3-yl)methanol

Database identifiers

PubChem CID
57787362

Properties

Computed structural properties

XLogP
4
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
233

Related reactions

2 records
New reaction record
HRID 1557723 reaction equation
HRID 1557723As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 2426752 reaction equation
HRID 2426752As productuspto-grants-2011_06

Compound notes

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