4-Benzyloxy-2-buten-1-ol

HCID 4228274

Notes Reactions

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Basic information

Standard SMILES: OCC=CCOCc1ccccc1
InChIKey: CGLJRLXTVXHOLX-UHFFFAOYSA-N
Molecular formula: C11H14O2
Average molar mass: 178.23 g/mol

Names & identifiers

Preferred name: 4-Benzyloxy-2-buten-1-ol
IUPAC: 4-phenylmethoxybut-2-en-1-ol

Names & synonyms

4-benzyloxy-2-buten-1-olSCHEMBL2436225CGLJRLXTVXHOLX-UHFFFAOYSA-NMFCD02677947

Database identifiers

PubChem CID: 4228274

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 13
Formal charge: 0
Complexity: 137

Related reactions

7 records

New reaction record

HRID 143021As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 810052As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1029985As reactantuspto-grants-1992_04

HRID 1144620As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1201310As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1214200As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1572490As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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