2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid

C15H18Cl2O2 — CID 63536675

IUPAC2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CCc2ccc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C15H18Cl2O2/c16-12-4-3-11(9-13(12)17)5-8-15(10-14(18)19)6-1-2-7-15/h3-4,9H,1-2,5-8,10H2,(H,18,19)
InChIKeyMCNYQARHCUGHNC-UHFFFAOYSA-N
MW301.21 g/mol
LogP4.96
Rot. Bonds5

About 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid

2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid (PubChem CID 63536675) has the molecular formula C15H18Cl2O2 and a molecular weight of 301.21 g/mol. Its IUPAC name is 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid
PubChem CID63536675
Molecular FormulaC15H18Cl2O2
Molecular Weight301.21 g/mol
Exact Mass300.07
IUPAC Name2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CCc2ccc(Cl)c(Cl)c2)CCCC1
InChIInChI=1S/C15H18Cl2O2/c16-12-4-3-11(9-13(12)17)5-8-15(10-14(18)19)6-1-2-7-15/h3-4,9H,1-2,5-8,10H2,(H,18,19)
InChIKeyMCNYQARHCUGHNC-UHFFFAOYSA-N
XLogP4.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.21
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid (CID 63536675) is 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CCc2ccc(Cl)c(Cl)c2)CCCC1.
What is the InChIKey of 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid?
The InChIKey is MCNYQARHCUGHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O2/c16-12-4-3-11(9-13(12)17)5-8-15(10-14(18)19)6-1-2-7-15/h3-4,9H,1-2,5-8,10H2,(H,18,19).
What are the key properties of 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid?
2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid has a molecular weight of 301.21 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 63536675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).