4-Trityloxybutan-1-ol

Substructure search Find similar structures

Basic information

CAS: 38257-94-2
Standard SMILES: OCCCCOC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey: CGCHCSJZVSGAIH-UHFFFAOYSA-N
Molecular formula: C23H24O2
Average molar mass: 332.4 g/mol
Monoisotopic mass: 332.17763

Names & identifiers

Preferred name: 4-Trityloxybutan-1-ol
IUPAC: 4-trityloxybutan-1-ol

Names & synonyms

4-trityloxybutan-1-olDTXSID6032732138257-94-2RefChem:296655DTXCID50278434NSC6461524-(Trityloxy)-1-butanol4-(TRIPHENYLMETHOXY)BUTAN-1-OL4-trityloxy-1-butanolSCHEMBL8868959CHEMBL1984806CGCHCSJZVSGAIH-UHFFFAOYSA-N

Show more names

NSC-646152NCI60_015888

Database identifiers

CAS: 38257-94-2
PubChem CID: 371702
DTXSID: DTXSID60327321
ChEMBL: CHEMBL1984806
Nikkaji: J1.380.350A

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 304

Related reactions

8 records

New reaction record

HRID 166612As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 234213As productuspto-grants-1997_01

HRID 234214As reactantuspto-grants-1997_01

HRID 801642As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1082153As productuspto-grants-1996_12

HRID 1082154As reactantuspto-grants-1996_12

HRID 1377849As productuspto-grants-1997_09

HRID 1377850As reactantuspto-grants-1997_09

Compound notes

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