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

C14H16Cl2O2 — CID 67957962

IUPAC2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid
SMILESCC(C(=O)O)(c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H16Cl2O2/c1-14(13(17)18,9-4-2-3-5-9)10-6-7-11(15)12(16)8-10/h6-9H,2-5H2,1H3,(H,17,18)
InChIKeyFANVXFVWSGHIEK-UHFFFAOYSA-N
MW287.19 g/mol
LogP4.53
Rot. Bonds3

About 2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid

2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid (PubChem CID 67957962) has the molecular formula C14H16Cl2O2 and a molecular weight of 287.19 g/mol. Its IUPAC name is 2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid
PubChem CID67957962
Molecular FormulaC14H16Cl2O2
Molecular Weight287.19 g/mol
Exact Mass286.05
IUPAC Name2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid
SMILESCC(C(=O)O)(c1ccc(Cl)c(Cl)c1)C1CCCC1
InChIInChI=1S/C14H16Cl2O2/c1-14(13(17)18,9-4-2-3-5-9)10-6-7-11(15)12(16)8-10/h6-9H,2-5H2,1H3,(H,17,18)
InChIKeyFANVXFVWSGHIEK-UHFFFAOYSA-N
XLogP4.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid?
The IUPAC name of 2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid (CID 67957962) is 2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid.
What is the SMILES notation for 2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid?
The canonical SMILES for 2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid is CC(C(=O)O)(c1ccc(Cl)c(Cl)c1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid?
The InChIKey is FANVXFVWSGHIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O2/c1-14(13(17)18,9-4-2-3-5-9)10-6-7-11(15)12(16)8-10/h6-9H,2-5H2,1H3,(H,17,18).
What are the key properties of 2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid?
2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid has a molecular weight of 287.19 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-(3,4-dichlorophenyl)propanoic acid is sourced from PubChem (CID 67957962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).