[3-(2-Methyl-[1,3]dioxolan-2-yl)-phenyl]-methanol

HCID 66820167

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC1(c2cccc(CO)c2)OCCO1
InChIKey: RUXREPWRETXGJY-UHFFFAOYSA-N
Molecular formula: C11H14O3
Average molar mass: 194.23 g/mol

Names & identifiers

Preferred name: [3-(2-Methyl-[1,3]dioxolan-2-yl)-phenyl]-methanol
IUPAC: [3-(2-methyl-1,3-dioxolan-2-yl)phenyl]methanol

Names & synonyms

[3-(2-Methyl-[1,3]dioxolan-2-yl)-phenyl]-methanol1161774-83-9SCHEMBL856097RUXREPWRETXGJY-UHFFFAOYSA-NDB-353743

Database identifiers

PubChem CID: 66820167

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 38.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 187

Related reactions

7 records

New reaction record

HRID 42759As productuspto-grants-2013_09

HRID 42760As reactantuspto-grants-2013_09

HRID 1044782As productuspto-grants-2013_10

HRID 1044783As reactantuspto-grants-2013_10

HRID 2064980As productuspto-grants-2012_10

HRID 2064981As reactantuspto-grants-2012_10

HRID 2131917As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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