7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid

C10H12O4 — CID 23055428

IUPAC7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid
SMILESCOC1=CCCC2=C1OC(C(=O)O)C2
InChIInChI=1S/C10H12O4/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h4,8H,2-3,5H2,1H3,(H,11,12)
InChIKeyABSCULBDOOZOLJ-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.44
Rot. Bonds2

About 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid

7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid (PubChem CID 23055428) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid
PubChem CID23055428
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid
SMILESCOC1=CCCC2=C1OC(C(=O)O)C2
InChIInChI=1S/C10H12O4/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h4,8H,2-3,5H2,1H3,(H,11,12)
InChIKeyABSCULBDOOZOLJ-UHFFFAOYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid (CID 23055428) is 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid is COC1=CCCC2=C1OC(C(=O)O)C2.
What is the InChIKey of 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid?
The InChIKey is ABSCULBDOOZOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h4,8H,2-3,5H2,1H3,(H,11,12).
What are the key properties of 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid?
7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3,4,5-tetrahydro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 23055428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).