1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid

C16H20O4 — CID 58304082

IUPAC1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCOc1ccc(C(=O)CC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C16H20O4/c1-2-20-13-7-5-12(6-8-13)14(17)11-16(15(18)19)9-3-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyZXFPQRZTSKKENF-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.30
Rot. Bonds6

About 1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 58304082) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID58304082
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCOc1ccc(C(=O)CC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C16H20O4/c1-2-20-13-7-5-12(6-8-13)14(17)11-16(15(18)19)9-3-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,18,19)
InChIKeyZXFPQRZTSKKENF-UHFFFAOYSA-N
XLogP3.30
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 58304082) is 1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid is CCOc1ccc(C(=O)CC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZXFPQRZTSKKENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-2-20-13-7-5-12(6-8-13)14(17)11-16(15(18)19)9-3-4-10-16/h5-8H,2-4,9-11H2,1H3,(H,18,19).
What are the key properties of 1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 276.33 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 58304082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).