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2-(1H-Inden-1-yl)ethan-1-ol

HCID 23288751
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
37867-98-4
Standard SMILES
OCCC1C=Cc2ccccc21
InChIKey
BHLPXOCOLGSUHH-UHFFFAOYSA-N
Molecular formula
C11H12O
Average molar mass
160.21 g/mol
Monoisotopic mass
160.088815

Names & identifiers

Preferred name
2-(1H-Inden-1-yl)ethan-1-ol
IUPAC
2-(1H-inden-1-yl)ethanol

Names & synonyms

37867-98-42-(1-Indenyl)ethanol2-(1H-Inden-1-yl)ethan-1-ol2-(Inden-1-yl)ethanolSCHEMBL6055186DTXSID40632586BHLPXOCOLGSUHH-UHFFFAOYSA-NDB-093031

Database identifiers

CAS
37867-98-4
PubChem CID
23288751
DTXSID
DTXSID40632586

Properties

Computed structural propertiesFilling in

XLogP
2.2
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
12
Formal charge
0
Complexity
174

Related reactions

11 records
New reaction record
HRID 368852 reaction equation
HRID 368852As reactantuspto-grants-2000_10
HRID 372803 reaction equation
HRID 372803As productuspto-grants-1978_05
HRID 427106 reaction equation
HRID 427106As productuspto-grants-1979_10
HRID 442055 reaction equation
HRID 442055As productuspto-grants-1977_08
HRID 689651 reaction equation
HRID 689651As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 972721 reaction equation
HRID 972721As productuspto-grants-1977_10
HRID 1287268 reaction equation
HRID 1287268As productuspto-grants-1976_10
HRID 1390317 reaction equation
HRID 1390317As productuspto-grants-1979_02
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Compound notes

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