3-Methyl-(3-methylbenzyl)-butan-2-ol

HCID 20158656
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Basic information

Standard SMILES
Cc1cccc(CCC(O)C(C)C)c1
InChIKey
MZWKCZPHPONNTG-UHFFFAOYSA-N
Molecular formula
C13H20O
Average molar mass
192.3 g/mol
Monoisotopic mass
192.15141526

Names & identifiers

Preferred name
3-Methyl-(3-methylbenzyl)-butan-2-ol
IUPAC
4-methyl-1-(3-methylphenyl)pentan-3-ol

Names & synonyms

SCHEMBL9748680MZWKCZPHPONNTG-UHFFFAOYSA-NAKOS0110205093-methyl-(3-methylbenzyl)-butan-2-ol

Database identifiers

PubChem CID
20158656

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
14

Related reactions

1 records
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Compound notes

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