HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program：[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

7-Fluoro-3-methoxycarbonylmethyl-2-methyl-naphthalene-1-carboxylic acid

HCID 59326734
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)Cc1cc2ccc(F)cc2c(C(=O)O)c1C
InChIKey
DNCPRBDIQOHSHU-UHFFFAOYSA-N
Molecular formula
C15H13FO4
Average molar mass
276.26 g/mol
Monoisotopic mass
276.07978705

Names & identifiers

Preferred name
7-Fluoro-3-methoxycarbonylmethyl-2-methyl-naphthalene-1-carboxylic acid
IUPAC
7-fluoro-3-(2-methoxy-2-oxoethyl)-2-methylnaphthalene-1-carboxylic acid

Names & synonyms

SCHEMBL2335826DNCPRBDIQOHSHU-UHFFFAOYSA-N7-fluoro-3-methoxycarbonylmethyl-2-methyl-naphthalene-1-carboxylic acid

Database identifiers

PubChem CID
59326734

Properties

Computed structural properties

XLogP
3
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
384

Related reactions

6 records
New reaction record
HRID 1542574 reaction equation
HRID 1542574As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1556218 reaction equation
HRID 1556218As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1929571 reaction equation
HRID 1929571As reactantuspto-grants-2012_05
HRID 1929577 reaction equation
HRID 1929577As reactantuspto-grants-2012_05
HRID 1929582 reaction equation
HRID 1929582As reactantuspto-grants-2012_05
HRID 2345454 reaction equation
HRID 2345454As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes