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alpha-Methyl-6-(hexyloxy)-2-naphthaleneacetic acid

HCID 15030189
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCCCCOc1ccc2cc(C(C)C(=O)O)ccc2c1
InChIKey
RCFISEVNTSBIKK-UHFFFAOYSA-N
Molecular formula
C19H24O3
Average molar mass
300.4 g/mol

Names & identifiers

Preferred name
alpha-Methyl-6-(hexyloxy)-2-naphthaleneacetic acid
IUPAC
2-(6-hexoxynaphthalen-2-yl)propanoic acid

Names & synonyms

SCHEMBL9586060RCFISEVNTSBIKK-UHFFFAOYSA-Nalpha-Methyl-6-(hexyloxy)-2-naphthaleneacetic acid

Database identifiers

PubChem CID
15030189

Properties

Computed structural properties

XLogP
5.7
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
8
Heavy atoms
22
Formal charge
0
Complexity
342

Related reactions

5 records
New reaction record
HRID 248180 reaction equation
HRID 248180As productuspto-grants-1993_05
HRID 836065 reaction equation
HRID 836065As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1087907 reaction equation
HRID 1087907As productuspto-grants-1990_10
HRID 1091180 reaction equation
HRID 1091180As productuspto-grants-1992_01
HRID 1655557 reaction equation
HRID 1655557As productuspto-grants-1993_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes