5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid

C14H16O4 — CID 131696400

IUPAC5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc2oc(CC(C)C)c(C(=O)O)c2c1
InChIInChI=1S/C14H16O4/c1-8(2)6-12-13(14(15)16)10-7-9(17-3)4-5-11(10)18-12/h4-5,7-8H,6H2,1-3H3,(H,15,16)
InChIKeyYLKPFDKIFZQMSN-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.34
Rot. Bonds4

About 5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid

5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid (PubChem CID 131696400) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
PubChem CID131696400
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid
SMILESCOc1ccc2oc(CC(C)C)c(C(=O)O)c2c1
InChIInChI=1S/C14H16O4/c1-8(2)6-12-13(14(15)16)10-7-9(17-3)4-5-11(10)18-12/h4-5,7-8H,6H2,1-3H3,(H,15,16)
InChIKeyYLKPFDKIFZQMSN-UHFFFAOYSA-N
XLogP3.34
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-3-(2-methylpropyl)-1-benzofuran-2-carboxylic acid
CID 113443722
5-(4-methoxyphenoxy)-2-methyl-1-benzofuran-3-carboxylic acid
CID 177038641
5-methoxy-2-(phenylsulfanylmethyl)-1-benzofuran-3-carboxamide
CID 13415652
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
5-[(3-methoxyphenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 163379683
(5-methoxy-2-methyl-1-benzofuran-3-yl)-phenylmethanone
CID 900013
5-[(1S)-1-carboxyethoxy]-2-methyl-1-benzofuran-3-carboxylic acid
CID 854526
[2-(3-ethoxy-3-hydroxypropyl)-5-methoxy-1-benzofuran-3-yl]-phenylmethanone
CID 123964397
9-methoxy-3-oxobenzo[f]chromene-2-carboxylic acid
CID 166609270
5-methoxy-3-propyl-1-benzofuran-2-carboxylic acid
CID 104708339
ethyl 5-methoxy-2-(piperidin-1-ylmethyl)-1-benzofuran-3-carboxylate chloride
CID 53313482
ethyl 5-methoxy-2-(morpholin-4-ylmethyl)-1-benzofuran-3-carboxylate;hydrochloride
CID 90484357

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid (CID 131696400) is 5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid is COc1ccc2oc(CC(C)C)c(C(=O)O)c2c1.
What is the InChIKey of 5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is YLKPFDKIFZQMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-8(2)6-12-13(14(15)16)10-7-9(17-3)4-5-11(10)18-12/h4-5,7-8H,6H2,1-3H3,(H,15,16).
What are the key properties of 5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid?
5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methylpropyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 131696400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).