2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid

C10H10O3 — CID 647255

IUPAC2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESCC1Cc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C10H10O3/c1-6-4-8-5-7(10(11)12)2-3-9(8)13-6/h2-3,5-6H,4H2,1H3,(H,11,12)
InChIKeyNXNQXQFRCVUXIN-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.71
Rot. Bonds1

About 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid

2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid (PubChem CID 647255) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
PubChem CID647255
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESCC1Cc2cc(C(=O)O)ccc2O1
InChIInChI=1S/C10H10O3/c1-6-4-8-5-7(10(11)12)2-3-9(8)13-6/h2-3,5-6H,4H2,1H3,(H,11,12)
InChIKeyNXNQXQFRCVUXIN-UHFFFAOYSA-N
XLogP1.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The IUPAC name of 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid (CID 647255) is 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid is CC1Cc2cc(C(=O)O)ccc2O1.
What is the InChIKey of 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The InChIKey is NXNQXQFRCVUXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6-4-8-5-7(10(11)12)2-3-9(8)13-6/h2-3,5-6H,4H2,1H3,(H,11,12).
What are the key properties of 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid?
2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-dihydro-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 647255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).