2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid

C16H20O5 — CID 117472042

IUPAC2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
SMILESCOc1c2c(c(C(C)C(=O)O)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C16H20O5/c1-7-5-10-12(9(3)16(17)18)13-11(6-8(2)20-13)14(19-4)15(10)21-7/h7-9H,5-6H2,1-4H3,(H,17,18)
InChIKeyKLBXEVHYEKNZLO-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.53
Rot. Bonds3

About 2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid

2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid (PubChem CID 117472042) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
PubChem CID117472042
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
SMILESCOc1c2c(c(C(C)C(=O)O)c3c1OC(C)C3)OC(C)C2
InChIInChI=1S/C16H20O5/c1-7-5-10-12(9(3)16(17)18)13-11(6-8(2)20-13)14(19-4)15(10)21-7/h7-9H,5-6H2,1-4H3,(H,17,18)
InChIKeyKLBXEVHYEKNZLO-UHFFFAOYSA-N
XLogP2.53
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic 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

4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid
CID 117414815
3-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 117471999
1-[1-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropyl]ethanamine
CID 117488571
2-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 84798082
1-(4-chloro-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83898955
3-amino-3-(4-hydroxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid
CID 117473267
3-(4-hydroxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)butanal
CID 117442552
2-(7-chloro-2-methyl-2,3-dihydro-1-benzofuran-5-yl)propanoic acid
CID 83898948
2-(6-methoxy-4H-1,3-benzodioxin-5-yl)propanoic acid
CID 117348748
1-(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 117458829
8-hydroxy-5,6-dimethoxy-3-methyl-3,4-dihydroisochromen-1-one
CID 15677559
(3R)-5-chloro-8-methoxy-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid
CID 71561208

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid?
The IUPAC name of 2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid (CID 117472042) is 2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid.
What is the SMILES notation for 2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid?
The canonical SMILES for 2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid is COc1c2c(c(C(C)C(=O)O)c3c1OC(C)C3)OC(C)C2.
What is the InChIKey of 2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid?
The InChIKey is KLBXEVHYEKNZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-7-5-10-12(9(3)16(17)18)13-11(6-8(2)20-13)14(19-4)15(10)21-7/h7-9H,5-6H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid?
2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propanoic acid is sourced from PubChem (CID 117472042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).