2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid

C11H12O4 — CID 117297221

IUPAC2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid
SMILESCc1cc2c(c(CC(=O)O)c1O)CCO2
InChIInChI=1S/C11H12O4/c1-6-4-9-7(2-3-15-9)8(11(6)14)5-10(12)13/h4,14H,2-3,5H2,1H3,(H,12,13)
InChIKeyZBUGRDUNTPEKQK-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.26
Rot. Bonds2

About 2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid

2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid (PubChem CID 117297221) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid
PubChem CID117297221
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid
SMILESCc1cc2c(c(CC(=O)O)c1O)CCO2
InChIInChI=1S/C11H12O4/c1-6-4-9-7(2-3-15-9)8(11(6)14)5-10(12)13/h4,14H,2-3,5H2,1H3,(H,12,13)
InChIKeyZBUGRDUNTPEKQK-UHFFFAOYSA-N
XLogP1.26
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-methyl-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 19098396
2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117285919
2-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117344271
4-[1-hydroxy-2-(methylamino)ethyl]-6-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 117319735
2-[7-(hydroxymethyl)-3,4-dihydro-2H-chromen-5-yl]acetic acid
CID 174651205
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687
4-(5-amino-1,2-oxazol-3-yl)-6-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 137007271
4,6-dimethyl-2,3-dihydro-1-benzofuran
CID 23113841
2-(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetic acid
CID 117317862
1-(5-methoxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)cyclopropane-1-carboxylic acid
CID 117373348
2-[1,6-dimethyl-4-(5-methyl-3,4-dihydro-2H-chromen-6-yl)-2,3-dihydroindol-5-yl]acetic acid
CID 134221580
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
CID 117284369

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid?
The IUPAC name of 2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid (CID 117297221) is 2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid.
What is the SMILES notation for 2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid?
The canonical SMILES for 2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid is Cc1cc2c(c(CC(=O)O)c1O)CCO2.
What is the InChIKey of 2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid?
The InChIKey is ZBUGRDUNTPEKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-6-4-9-7(2-3-15-9)8(11(6)14)5-10(12)13/h4,14H,2-3,5H2,1H3,(H,12,13).
What are the key properties of 2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid?
2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid has a molecular weight of 208.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid is sourced from PubChem (CID 117297221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).