1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid

C17H22O3 — CID 66363294

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CCC(CC2Cc3ccccc3O2)(C(=O)O)C1
InChIInChI=1S/C17H22O3/c1-2-12-7-8-17(10-12,16(18)19)11-14-9-13-5-3-4-6-15(13)20-14/h3-6,12,14H,2,7-11H2,1H3,(H,18,19)
InChIKeyHWXMJSHFZKIYRB-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.66
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid (PubChem CID 66363294) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid
PubChem CID66363294
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid
SMILESCCC1CCC(CC2Cc3ccccc3O2)(C(=O)O)C1
InChIInChI=1S/C17H22O3/c1-2-12-7-8-17(10-12,16(18)19)11-14-9-13-5-3-4-6-15(13)20-14/h3-6,12,14H,2,7-11H2,1H3,(H,18,19)
InChIKeyHWXMJSHFZKIYRB-UHFFFAOYSA-N
XLogP3.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid (CID 66363294) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid is CCC1CCC(CC2Cc3ccccc3O2)(C(=O)O)C1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid?
The InChIKey is HWXMJSHFZKIYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-2-12-7-8-17(10-12,16(18)19)11-14-9-13-5-3-4-6-15(13)20-14/h3-6,12,14H,2,7-11H2,1H3,(H,18,19).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 66363294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).