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2-(6-Methoxynaphthalen-2-yl)propan-1-ol

HCID 33341
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
37414-52-1
Standard SMILES
COc1ccc2cc(C(C)CO)ccc2c1
InChIKey
LTRANDSQVZFZDG-UHFFFAOYSA-N
Molecular formula
C14H16O2
Average molar mass
216.27 g/mol
Monoisotopic mass
216.11502975

Names & identifiers

Preferred name
2-(6-Methoxynaphthalen-2-yl)propan-1-ol
IUPAC
2-(6-methoxynaphthalen-2-yl)propan-1-ol

Names & synonyms

2-(6-methoxynaphthalen-2-yl)propan-1-olNCGC00095068-01SCHEMBL8471214CHEMBL4078616SCHEMBL29979997LTRANDSQVZFZDG-UHFFFAOYSA-N2-(6-methoxy-2-naphthyl)propanolBBA159362-(6-methoxy-2-naphthyl)-l-propanolAKOS0053608172-(6-methoxy-2-naphthyl)propan-1-ol2-(6-methoxy-2-naphthyl)-propan-1-ol
Show more names
NCGC00095068-02NS00123306

Database identifiers

CAS
37414-52-1
PubChem CID
33341
ChEMBL
CHEMBL4078616
Nikkaji
J485.676G

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
29.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Formal charge
0
Complexity
217

Related reactions

10 records
New reaction record
HRID 327672 reaction equation
HRID 327672As reactantuspto-grants-1993_12
HRID 582722 reaction equation
HRID 582722As reactantuspto-grants-1999_07
HRID 677489 reaction equation
HRID 677489As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 953980 reaction equation
HRID 953980As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1076879 reaction equation
HRID 1076879As productuspto-grants-1976_05
HRID 1139962 reaction equation
HRID 1139962As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1613375 reaction equation
HRID 1613375As reactantuspto-grants-1993_03
HRID 1613754 reaction equation
HRID 1613754As reactantuspto-grants-1993_03
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Compound notes

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