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

2-Biphenyl-3-yl-4-methylpent-4-enoic acid

HCID 21899799
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=C(C)CC(C(=O)O)c1cccc(-c2ccccc2)c1
InChIKey
JWFFGEVPYJBJKC-UHFFFAOYSA-N
Molecular formula
C18H18O2
Average molar mass
266.3 g/mol

Names & identifiers

Preferred name
2-Biphenyl-3-yl-4-methylpent-4-enoic acid
IUPAC
4-methyl-2-(3-phenylphenyl)pent-4-enoic acid

Names & synonyms

SCHEMBL4129755JWFFGEVPYJBJKC-UHFFFAOYSA-N2-biphenyl-3-yl-4-methylpent-4-enoic acid2-(3-Biphenylyl)-4-methyl-4-pentenoic acid

Database identifiers

PubChem CID
21899799

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
341

Related reactions

7 records
New reaction record
HRID 31089 reaction equation
HRID 31089As productuspto-grants-2008_09
HRID 195474 reaction equation
HRID 195474As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 719593 reaction equation
HRID 719593As productuspto-grants-2006_11
HRID 817196 reaction equation
HRID 817196As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1060736 reaction equation
HRID 1060736As productuspto-grants-2003_02
HRID 1060737 reaction equation
HRID 1060737As reactantuspto-grants-2003_02
HRID 1122462 reaction equation
HRID 1122462As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes