2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid

C17H16O4 — CID 79218339

IUPAC2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid
SMILESCc1ccc(OCC2COc3ccccc32)c(C(=O)O)c1
InChIInChI=1S/C17H16O4/c1-11-6-7-16(14(8-11)17(18)19)21-10-12-9-20-15-5-3-2-4-13(12)15/h2-8,12H,9-10H2,1H3,(H,18,19)
InChIKeyHVUHXVODZBBKID-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.25
Rot. Bonds4

About 2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid

2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid (PubChem CID 79218339) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid
PubChem CID79218339
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid
SMILESCc1ccc(OCC2COc3ccccc32)c(C(=O)O)c1
InChIInChI=1S/C17H16O4/c1-11-6-7-16(14(8-11)17(18)19)21-10-12-9-20-15-5-3-2-4-13(12)15/h2-8,12H,9-10H2,1H3,(H,18,19)
InChIKeyHVUHXVODZBBKID-UHFFFAOYSA-N
XLogP3.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic 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

3-[(2,5-dimethylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 81005013
2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-methylbenzoic acid
CID 79205566
2-chloro-5-(2,3-dihydro-1-benzofuran-3-ylmethoxy)benzoic acid
CID 106500778
1-[2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-fluorophenyl]ethanone
CID 79218922
4-[(2-bromo-4-methylphenoxy)methyl]-3,4-dihydro-2H-chromene
CID 104768526
[3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-6-methyl-2-pyridinyl]methanol
CID 79229392
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
3-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-4-methoxyaniline
CID 79226564
1-[5-bromo-2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]ethanamine
CID 79218487
2-(2,3-dihydro-1-benzofuran-3-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 110753832
[3-bromo-4-(2,3-dihydro-1-benzofuran-3-ylmethoxy)phenyl]methanamine
CID 79226329
3-[[4-(bromomethyl)-2,6-dimethylphenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 79219231

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid (CID 79218339) is 2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid is Cc1ccc(OCC2COc3ccccc32)c(C(=O)O)c1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid?
The InChIKey is HVUHXVODZBBKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-11-6-7-16(14(8-11)17(18)19)21-10-12-9-20-15-5-3-2-4-13(12)15/h2-8,12H,9-10H2,1H3,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid?
2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid has a molecular weight of 284.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-ylmethoxy)-5-methylbenzoic acid is sourced from PubChem (CID 79218339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).