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2,2-Dimethyl-3-(2-hydroxyethyl)-chroman

HCID 54564319
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC1(C)Oc2ccccc2CC1CCO
InChIKey
ZSTGWQNDRHYKEP-UHFFFAOYSA-N
Molecular formula
C13H18O2
Average molar mass
206.28 g/mol

Names & identifiers

Preferred name
2,2-Dimethyl-3-(2-hydroxyethyl)-chroman
IUPAC
2-(2,2-dimethyl-3,4-dihydrochromen-3-yl)ethanol

Names & synonyms

SCHEMBL9690440ZSTGWQNDRHYKEP-UHFFFAOYSA-N2,2-dimethyl-3-(2-hydroxyethyl)-chroman

Database identifiers

PubChem CID
54564319

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
213

Related reactions

5 records
New reaction record
HRID 1032428 reaction equation
HRID 1032428As productuspto-grants-1990_09
HRID 1032429 reaction equation
HRID 1032429As reactantuspto-grants-1990_09
HRID 1196047 reaction equation
HRID 1196047As productuspto-grants-1992_05
HRID 1196048 reaction equation
HRID 1196048As reactantuspto-grants-1992_05
HRID 2133381 reaction equation
HRID 2133381As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes