2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid

C17H21ClO3 — CID 104546079

IUPAC2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CCc2cc(Cl)cc3c2OCC3)CCCC1
InChIInChI=1S/C17H21ClO3/c18-14-9-12(16-13(10-14)4-8-21-16)3-7-17(11-15(19)20)5-1-2-6-17/h9-10H,1-8,11H2,(H,19,20)
InChIKeyIXLIBKIITLJKNY-UHFFFAOYSA-N
MW308.81 g/mol
LogP4.24
Rot. Bonds5

About 2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid

2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid (PubChem CID 104546079) has the molecular formula C17H21ClO3 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid
PubChem CID104546079
Molecular FormulaC17H21ClO3
Molecular Weight308.81 g/mol
Exact Mass308.12
IUPAC Name2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid
SMILESO=C(O)CC1(CCc2cc(Cl)cc3c2OCC3)CCCC1
InChIInChI=1S/C17H21ClO3/c18-14-9-12(16-13(10-14)4-8-21-16)3-7-17(11-15(19)20)5-1-2-6-17/h9-10H,1-8,11H2,(H,19,20)
InChIKeyIXLIBKIITLJKNY-UHFFFAOYSA-N
XLogP4.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopropan-1-amine
CID 105499911
[3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]pyrrolidin-3-yl]methanol
CID 113403784
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(3-methylpiperidin-3-yl)ethanone
CID 116569415
2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1-(2,2-dimethylcyclohexyl)ethanone
CID 107187399
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)but-3-en-2-one
CID 103453608
2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclopentyl]acetic acid
CID 63536675
2-[1-[2-(5-bromo-4-chlorothiophen-2-yl)ethyl]cyclohexyl]acetic acid
CID 80532221
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl-ethylamino]acetic acid
CID 113403387
2-[1-[2-(3,4-dichlorophenyl)ethyl]cyclohexyl]acetic acid
CID 43804838
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)propan-2-one
CID 116562535
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554886
1-(6-azaspiro[2.5]octan-2-yl)-2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 116573104

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid (CID 104546079) is 2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid is O=C(O)CC1(CCc2cc(Cl)cc3c2OCC3)CCCC1.
What is the InChIKey of 2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid?
The InChIKey is IXLIBKIITLJKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO3/c18-14-9-12(16-13(10-14)4-8-21-16)3-7-17(11-15(19)20)5-1-2-6-17/h9-10H,1-8,11H2,(H,19,20).
What are the key properties of 2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid?
2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid has a molecular weight of 308.81 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)ethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 104546079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).