7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid

C12H12O4 — CID 23468813

IUPAC7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2c(C)c(C)oc12
InChIInChI=1S/C12H12O4/c1-6-7(2)16-11-9(6)4-8(12(13)14)5-10(11)15-3/h4-5H,1-3H3,(H,13,14)
InChIKeyGGLDGDBYXRBLPR-UHFFFAOYSA-N
MW220.22 g/mol
LogP2.76
Rot. Bonds2

About 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid

7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid (PubChem CID 23468813) has the molecular formula C12H12O4 and a molecular weight of 220.22 g/mol. Its IUPAC name is 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid
PubChem CID23468813
Molecular FormulaC12H12O4
Molecular Weight220.22 g/mol
Exact Mass220.07
IUPAC Name7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid
SMILESCOc1cc(C(=O)O)cc2c(C)c(C)oc12
InChIInChI=1S/C12H12O4/c1-6-7(2)16-11-9(6)4-8(12(13)14)5-10(11)15-3/h4-5H,1-3H3,(H,13,14)
InChIKeyGGLDGDBYXRBLPR-UHFFFAOYSA-N
XLogP2.76
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-Methoxypsoralen
CID 4114
Khellin
CID 3828
Sphondin
CID 108104
8-Hydroxybergapten
CID 3083726
Benzofuran-2-carboxylic acid
CID 10331
Egonol
CID 485186
XH-14
CID 6709746
1-Benzofuran-5-Carboxylic Acid
CID 595656
9-(2-Hydroxy-3-Methylbut-3-Enoxy)-4-Methoxyfuro(3,2-G)Chromen-7-One
CID 616064
Ethanone, 1-(7-methoxy-2-benzofuranyl)-
CID 39378
3-Methyl-1-benzofuran-2-carboxylic acid
CID 600591
2-(8-Oxatricyclo(7.4.0.0,2,7)trideca-1(9),2,4,6-tetraen-4-yloxy)acetic acid
CID 2927343

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid?
The IUPAC name of 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid (CID 23468813) is 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid is COc1cc(C(=O)O)cc2c(C)c(C)oc12.
What is the InChIKey of 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid?
The InChIKey is GGLDGDBYXRBLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O4/c1-6-7(2)16-11-9(6)4-8(12(13)14)5-10(11)15-3/h4-5H,1-3H3,(H,13,14).
What are the key properties of 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid?
7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid has a molecular weight of 220.22 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3-dimethyl-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 23468813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).