(4-Butoxymethyl-phenyl)-methanol

HCID 54087706

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCCCOCc1ccc(CO)cc1
InChIKey: NTHJLFBRWBCCGD-UHFFFAOYSA-N
Molecular formula: C12H18O2
Average molar mass: 194.27 g/mol

Names & identifiers

Preferred name: (4-Butoxymethyl-phenyl)-methanol
IUPAC: [4-(butoxymethyl)phenyl]methanol

Names & synonyms

936342-62-0SCHEMBL509275SCHEMBL9517762(4-Butoxymethyl-phenyl)-methanolNTHJLFBRWBCCGD-UHFFFAOYSA-NDB-120553

Database identifiers

PubChem CID: 54087706

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 128

Related reactions

15 records

New reaction record

HRID 77869As productuspto-grants-2014_09

HRID 77870As reactantuspto-grants-2014_09

HRID 640152As productuspto-grants-2010_04

HRID 640153As reactantuspto-grants-2010_04

HRID 674213As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1135959As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1690976As productuspto-grants-2012_04

HRID 1690977As reactantuspto-grants-2012_04

Compound notes

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