3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic Acid

HCID 2762725CAS 300355-34-4

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Basic information

Standard SMILES: O=C(O)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1
InChIKey: FJSODZKQLZQDHD-UHFFFAOYSA-N
Molecular formula: C14H16Cl2O2
Average molar mass: 287.2 g/mol
Monoisotopic mass: 286.0527351

Names & identifiers

Preferred name: 3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic Acid
IUPAC: 3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid

Names & synonyms

3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic Acid300355-34-4SCHEMBL1859326DTXSID20376395FJSODZKQLZQDHD-UHFFFAOYSA-N3-cyclopentyl-2-(3,4-dichloro-phenyl)-propionic acid3-cyclopentyl-2-(3,4-dichlorophenyl)-propionic acid

Database identifiers

CAS: 300355-34-4
PubChem CID: 2762725
DTXSID: DTXSID20376395

Properties

Computed structural properties

XLogP: 5.2
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 18
Formal charge: 0
Complexity: 290

Related reactions

124 records

New reaction record

HRID 114542As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 121085As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 125407As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 149601As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 156785As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 180389As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 195072As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 195142As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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