1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid

C16H20O3 — CID 79426418

IUPAC1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CCc2ccc3c(c2)CCO3)CCCC1
InChIInChI=1S/C16H20O3/c17-15(18)16(7-1-2-8-16)9-5-12-3-4-14-13(11-12)6-10-19-14/h3-4,11H,1-2,5-10H2,(H,17,18)
InChIKeyQGQPYLLWIUBMIJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.20
Rot. Bonds4

About 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid

1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 79426418) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
PubChem CID79426418
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CCc2ccc3c(c2)CCO3)CCCC1
InChIInChI=1S/C16H20O3/c17-15(18)16(7-1-2-8-16)9-5-12-3-4-14-13(11-12)6-10-19-14/h3-4,11H,1-2,5-10H2,(H,17,18)
InChIKeyQGQPYLLWIUBMIJ-UHFFFAOYSA-N
XLogP3.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 111334716
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 79836809
[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]cyclopentyl]methanol
CID 65445774
1-(2,3-dihydro-1-benzofuran-5-yl)cyclohexane-1-carboxylic acid
CID 117367919
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3,3-dimethylcyclohexan-1-ol
CID 65446994
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropiperidine
CID 112563003
2-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentyl]-N-methylethanamine
CID 65304047
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111335774
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111618884
4-[[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]methyl]oxane-4-carboxylic acid
CID 120542026
1-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxypropyl]cyclopentan-1-ol
CID 103448228
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-fluoropyrrolidine
CID 112564401

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid (CID 79426418) is 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CCc2ccc3c(c2)CCO3)CCCC1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is QGQPYLLWIUBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-15(18)16(7-1-2-8-16)9-5-12-3-4-14-13(11-12)6-10-19-14/h3-4,11H,1-2,5-10H2,(H,17,18).
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid?
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 260.33 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 79426418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).