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

Methyl (4'-hydroxy-1,1'-biphenyl-4-yl)acetate

HCID 86088038
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(=O)Cc1ccc(-c2ccc(O)cc2)cc1
InChIKey
ASSGUXYTCDTUKC-UHFFFAOYSA-N
Molecular formula
C15H14O3
Average molar mass
242.27 g/mol

Names & identifiers

Preferred name
Methyl (4'-hydroxy-1,1'-biphenyl-4-yl)acetate
IUPAC
methyl 2-[4-(4-hydroxyphenyl)phenyl]acetate

Names & synonyms

methyl (4'-hydroxy-1,1'-biphenyl-4-yl)acetateASSGUXYTCDTUKC-UHFFFAOYSA-N873011-21-3methyl 2-(4-(4-hydroxyphenyl)phenyl)acetate

Database identifiers

PubChem CID
86088038

Properties

Computed structural properties

XLogP
3
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
261

Related reactions

6 records
New reaction record
HRID 814880 reaction equation
HRID 814880As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 952623 reaction equation
HRID 952623As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2076583 reaction equation
HRID 2076583As productuspto-grants-2011_04
HRID 2076588 reaction equation
HRID 2076588As reactantuspto-grants-2011_04
HRID 2076663 reaction equation
HRID 2076663As reactantuspto-grants-2011_04
HRID 2076686 reaction equation
HRID 2076686As reactantuspto-grants-2011_04

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes