2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid

C11H12O3 — CID 19098396

IUPAC2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESCc1cc2c(cc1CC(=O)O)CCO2
InChIInChI=1S/C11H12O3/c1-7-4-10-8(2-3-14-10)5-9(7)6-11(12)13/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyNJCPLLAIGFTXSZ-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.56
Rot. Bonds2

About 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid

2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid (PubChem CID 19098396) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
PubChem CID19098396
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
SMILESCc1cc2c(cc1CC(=O)O)CCO2
InChIInChI=1S/C11H12O3/c1-7-4-10-8(2-3-14-10)5-9(7)6-11(12)13/h4-5H,2-3,6H2,1H3,(H,12,13)
InChIKeyNJCPLLAIGFTXSZ-UHFFFAOYSA-N
XLogP1.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-6-methyl-2,3-dihydro-1-benzofuran;ethane
CID 159893574
2-(5-propan-2-yloxy-2,3-dihydro-1-benzofuran-6-yl)acetic acid
CID 83897026
2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117297221
1-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propan-2-one
CID 117284367
2-[4-(carboxymethyl)-2,5-dimethylphenyl]acetic acid
CID 658274
2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid;methanesulfonic acid
CID 159656752
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
3-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]propanoic acid
CID 112519656
2-amino-3-(6-fluoro-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 117322838
2-[3-(2,3-dihydro-1-benzofuran-6-yl)phenyl]acetic acid
CID 155498945
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812718
5-hydroxy-2,3-dihydro-1-benzofuran-6-carboxylic acid
CID 22159429

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The IUPAC name of 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid (CID 19098396) is 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid.
What is the SMILES notation for 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The canonical SMILES for 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid is Cc1cc2c(cc1CC(=O)O)CCO2.
What is the InChIKey of 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
The InChIKey is NJCPLLAIGFTXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7-4-10-8(2-3-14-10)5-9(7)6-11(12)13/h4-5H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid?
2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid has a molecular weight of 192.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid is sourced from PubChem (CID 19098396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).