2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid

C12H12O4 — CID 58806250

IUPAC2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid
SMILESCc1cc(OC(C)C(=O)O)c2occc2c1
InChIInChI=1S/C12H12O4/c1-7-5-9-3-4-15-11(9)10(6-7)16-8(2)12(13)14/h3-6,8H,1-2H3,(H,13,14)
InChIKeyZLANSNQQRRQJHP-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.59
Rot. Bonds3

About 2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid

2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid (PubChem CID 58806250) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid.

Molecular Properties

Compound Name2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid
PubChem CID58806250
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid
SMILESCc1cc(OC(C)C(=O)O)c2occc2c1
InChIInChI=1S/C12H12O4/c1-7-5-9-3-4-15-11(9)10(6-7)16-8(2)12(13)14/h3-6,8H,1-2H3,(H,13,14)
InChIKeyZLANSNQQRRQJHP-UHFFFAOYSA-N
XLogP2.59
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]propanoic acid
CID 78946999
(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-[2-methyl-5-[(2-methylfuran-3-carbonyl)amino]phenoxy]propanoic acid
CID 75446936
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
2-(4-iodo-2-methylphenoxy)propanoic acid
CID 152974342
5-methyl-N-[2-(4-oxo-1-pyridinyl)ethyl]-1-benzofuran-7-carboxamide
CID 166386675
2-furo[2,3-f][1]benzofuran-4-ylpropanoic acid
CID 117332166
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
2-(4-hydroxy-2,3,5-trimethylphenoxy)propanoic acid
CID 4129569

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid?
The IUPAC name of 2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid (CID 58806250) is 2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid.
What is the SMILES notation for 2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid?
The canonical SMILES for 2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid is Cc1cc(OC(C)C(=O)O)c2occc2c1.
What is the InChIKey of 2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid?
The InChIKey is ZLANSNQQRRQJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-7-5-9-3-4-15-11(9)10(6-7)16-8(2)12(13)14/h3-6,8H,1-2H3,(H,13,14).
What are the key properties of 2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid?
2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid has a molecular weight of 220.22 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1-benzofuran-7-yl)oxy]propanoic acid is sourced from PubChem (CID 58806250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).