2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid

C12H14O3 — CID 71174186

IUPAC2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid
SMILESCCc1cccc2c1OC(CC(=O)O)C2
InChIInChI=1S/C12H14O3/c1-2-8-4-3-5-9-6-10(7-11(13)14)15-12(8)9/h3-5,10H,2,6-7H2,1H3,(H,13,14)
InChIKeyYJOYOSMFUUILGC-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.03
Rot. Bonds3

About 2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid

2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid (PubChem CID 71174186) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid.

Molecular Properties

Compound Name2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid
PubChem CID71174186
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid
SMILESCCc1cccc2c1OC(CC(=O)O)C2
InChIInChI=1S/C12H14O3/c1-2-8-4-3-5-9-6-10(7-11(13)14)15-12(8)9/h3-5,10H,2,6-7H2,1H3,(H,13,14)
InChIKeyYJOYOSMFUUILGC-UHFFFAOYSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid?
The IUPAC name of 2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid (CID 71174186) is 2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid.
What is the SMILES notation for 2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid?
The canonical SMILES for 2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid is CCc1cccc2c1OC(CC(=O)O)C2.
What is the InChIKey of 2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid?
The InChIKey is YJOYOSMFUUILGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-2-8-4-3-5-9-6-10(7-11(13)14)15-12(8)9/h3-5,10H,2,6-7H2,1H3,(H,13,14).
What are the key properties of 2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid?
2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid has a molecular weight of 206.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-ethyl-2,3-dihydro-1-benzofuran-2-yl)acetic acid is sourced from PubChem (CID 71174186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).