4-(2',5'-Dimethoxy-3',4',6'-trimethylphenyl)-2-methyl-2-butenol

HCID 54214616

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1c(C)c(C)c(OC)c(CC=C(C)CO)c1C
InChIKey: PYHBWIBUYYEEQE-UHFFFAOYSA-N
Molecular formula: C16H24O3
Average molar mass: 264.36 g/mol

Names & identifiers

Preferred name: 4-(2',5'-Dimethoxy-3',4',6'-trimethylphenyl)-2-methyl-2-butenol
IUPAC: 4-(2,5-dimethoxy-3,4,6-trimethylphenyl)-2-methylbut-2-en-1-ol

Names & synonyms

SCHEMBL10451306PYHBWIBUYYEEQE-UHFFFAOYSA-N4-(2',5'-dimethoxy-3',4',6'-trimethylphenyl)-2-methyl-2-butenol

Database identifiers

PubChem CID: 54214616

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 19
Formal charge: 0
Complexity: 300

Related reactions

8 records

New reaction record

HRID 138216As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 210185As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 247634As productuspto-grants-1987_11

HRID 247635As reactantuspto-grants-1987_11

HRID 1380679As productuspto-grants-1986_04

HRID 1380680As reactantuspto-grants-1986_04

HRID 1789598As productuspto-grants-1987_08

HRID 1789599As reactantuspto-grants-1987_08

Compound notes

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