2-(2-propyl-1-benzofuran-6-yl)acetic acid

C13H14O3 — CID 70578535

IUPAC2-(2-propyl-1-benzofuran-6-yl)acetic acid
SMILESCCCc1cc2ccc(CC(=O)O)cc2o1
InChIInChI=1S/C13H14O3/c1-2-3-11-8-10-5-4-9(7-13(14)15)6-12(10)16-11/h4-6,8H,2-3,7H2,1H3,(H,14,15)
InChIKeyXXFREPHIPDZXCU-UHFFFAOYSA-N
MW218.25 g/mol
LogP3.01
Rot. Bonds4

About 2-(2-propyl-1-benzofuran-6-yl)acetic acid

2-(2-propyl-1-benzofuran-6-yl)acetic acid (PubChem CID 70578535) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-(2-propyl-1-benzofuran-6-yl)acetic acid.

Molecular Properties

Compound Name2-(2-propyl-1-benzofuran-6-yl)acetic acid
PubChem CID70578535
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Name2-(2-propyl-1-benzofuran-6-yl)acetic acid
SMILESCCCc1cc2ccc(CC(=O)O)cc2o1
InChIInChI=1S/C13H14O3/c1-2-3-11-8-10-5-4-9(7-13(14)15)6-12(10)16-11/h4-6,8H,2-3,7H2,1H3,(H,14,15)
InChIKeyXXFREPHIPDZXCU-UHFFFAOYSA-N
XLogP3.01
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]butan-2-one
CID 134414126
1-[2-[2-(propan-2-ylamino)ethyl]-1-benzofuran-6-yl]propan-2-one
CID 167181305
2-(3-amino-4-propylphenyl)acetic acid
CID 68878432
2-(6-chloro-1-benzofuran-2-yl)acetic acid
CID 82612573
2-(6-ethyl-1-benzofuran-2-yl)-N-methylethanamine
CID 126619868
2-(2-ethyl-1-benzothiophen-6-yl)acetic acid
CID 84685867
2-(6-methylnaphthalen-2-yl)acetic acid
CID 13199360
2-(3-amino-4-pentylphenyl)acetic acid
CID 123348759
methyl 2-[2-(6-methoxycarbonyl-1-benzofuran-2-yl)ethyl]-1-benzofuran-6-carboxylate
CID 23655159
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
2-(4-methyl-3-pentadecylphenyl)acetic acid
CID 141255119
2-propyl-1-benzofuran-5-amine
CID 22132951

Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-1-benzofuran-6-yl)acetic acid?
The IUPAC name of 2-(2-propyl-1-benzofuran-6-yl)acetic acid (CID 70578535) is 2-(2-propyl-1-benzofuran-6-yl)acetic acid.
What is the SMILES notation for 2-(2-propyl-1-benzofuran-6-yl)acetic acid?
The canonical SMILES for 2-(2-propyl-1-benzofuran-6-yl)acetic acid is CCCc1cc2ccc(CC(=O)O)cc2o1.
What is the InChIKey of 2-(2-propyl-1-benzofuran-6-yl)acetic acid?
The InChIKey is XXFREPHIPDZXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-2-3-11-8-10-5-4-9(7-13(14)15)6-12(10)16-11/h4-6,8H,2-3,7H2,1H3,(H,14,15).
What are the key properties of 2-(2-propyl-1-benzofuran-6-yl)acetic acid?
2-(2-propyl-1-benzofuran-6-yl)acetic acid has a molecular weight of 218.25 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-1-benzofuran-6-yl)acetic acid is sourced from PubChem (CID 70578535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).