2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

C18H18O5 — CID 123398259

About 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid

2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (PubChem CID 123398259) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
• PubChem CID: 123398259
• Molecular Formula: C18H18O5
• Molecular Weight: 314.34 g/mol
• Exact Mass: 314.12
• IUPAC Name: 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
• SMILES: Cc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)c(O)c1
• InChI: InChI=1S/C18H18O5/c1-11-2-3-12(16(19)6-11)9-22-14-4-5-15-13(7-18(20)21)10-23-17(15)8-14/h2-6,8,13,19H,7,9-10H2,1H3,(H,20,21)
• InChIKey: QVIYNIXOXJGLHF-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 75.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.34
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?

The IUPAC name of 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid (CID 123398259) is 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid.

What is the SMILES notation for 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?

The canonical SMILES for 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is Cc1ccc(COc2ccc3c(c2)OCC3CC(=O)O)c(O)c1.

What is the InChIKey of 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?

The InChIKey is QVIYNIXOXJGLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c1-11-2-3-12(16(19)6-11)9-22-14-4-5-15-13(7-18(20)21)10-23-17(15)8-14/h2-6,8,13,19H,7,9-10H2,1H3,(H,20,21).

What are the key properties of 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid?

2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid has a molecular weight of 314.34 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(2-hydroxy-4-methylphenyl)methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid is sourced from PubChem (CID 123398259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).