4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid

C14H16O5 — CID 117414815

IUPAC4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid
SMILESCOc1c2c(c(C(=O)O)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C14H16O5/c1-6-4-8-10(14(15)16)11-9(5-7(2)18-11)12(17-3)13(8)19-6/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyKHSFNNOXQJTWLP-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.04
Rot. Bonds2

About 4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid

4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid (PubChem CID 117414815) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid
PubChem CID117414815
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid
SMILESCOc1c2c(c(C(=O)O)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C14H16O5/c1-6-4-8-10(14(15)16)11-9(5-7(2)18-11)12(17-3)13(8)19-6/h6-7H,4-5H2,1-3H3,(H,15,16)
InChIKeyKHSFNNOXQJTWLP-UHFFFAOYSA-N
XLogP2.04
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid?
The IUPAC name of 4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid (CID 117414815) is 4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid?
The canonical SMILES for 4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid is COc1c2c(c(C(=O)O)c3c1OC(C)C3)OC(C)C2.
What is the InChIKey of 4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid?
The InChIKey is KHSFNNOXQJTWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-6-4-8-10(14(15)16)11-9(5-7(2)18-11)12(17-3)13(8)19-6/h6-7H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid?
4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid is sourced from PubChem (CID 117414815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).