3-(1-benzofuran-6-yloxymethyl)benzoic acid

C16H12O4 — CID 155153911

IUPAC3-(1-benzofuran-6-yloxymethyl)benzoic acid
SMILESO=C(O)c1cccc(COc2ccc3ccoc3c2)c1
InChIInChI=1S/C16H12O4/c17-16(18)13-3-1-2-11(8-13)10-20-14-5-4-12-6-7-19-15(12)9-14/h1-9H,10H2,(H,17,18)
InChIKeyISSYSRUFRWRKKT-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.71
Rot. Bonds4

About 3-(1-benzofuran-6-yloxymethyl)benzoic acid

3-(1-benzofuran-6-yloxymethyl)benzoic acid (PubChem CID 155153911) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 3-(1-benzofuran-6-yloxymethyl)benzoic acid.

Molecular Properties

Compound Name3-(1-benzofuran-6-yloxymethyl)benzoic acid
PubChem CID155153911
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name3-(1-benzofuran-6-yloxymethyl)benzoic acid
SMILESO=C(O)c1cccc(COc2ccc3ccoc3c2)c1
InChIInChI=1S/C16H12O4/c17-16(18)13-3-1-2-11(8-13)10-20-14-5-4-12-6-7-19-15(12)9-14/h1-9H,10H2,(H,17,18)
InChIKeyISSYSRUFRWRKKT-UHFFFAOYSA-N
XLogP3.71
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-iodophenyl)methoxy]-1-benzofuran
CID 59010068
3-[(4-phenylphenoxy)methyl]benzoic acid
CID 18707489
3-(1,3-benzoxazol-5-yloxymethyl)benzoic acid
CID 117098204
3-(isoquinolin-7-yloxymethyl)benzoic acid
CID 155153998
3-[(4-ethylphenoxy)methyl]benzoic acid
CID 891200
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
7-phenylmethoxynaphthalene-2-carboxylic acid
CID 22243430
3-[(2-methyl-1,3-benzothiazol-6-yl)oxymethyl]benzoic acid
CID 82189809
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-[(4-nitrophenoxy)methyl]benzoic acid
CID 7015977
3-[[4-(4,5-difluoro-1-benzofuran-7-yl)phenoxy]methyl]benzoic acid
CID 90384393
3-[[4-(2-carboxy-2-hydroxyethyl)phenoxy]methyl]benzoic acid
CID 141111716

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-6-yloxymethyl)benzoic acid?
The IUPAC name of 3-(1-benzofuran-6-yloxymethyl)benzoic acid (CID 155153911) is 3-(1-benzofuran-6-yloxymethyl)benzoic acid.
What is the SMILES notation for 3-(1-benzofuran-6-yloxymethyl)benzoic acid?
The canonical SMILES for 3-(1-benzofuran-6-yloxymethyl)benzoic acid is O=C(O)c1cccc(COc2ccc3ccoc3c2)c1.
What is the InChIKey of 3-(1-benzofuran-6-yloxymethyl)benzoic acid?
The InChIKey is ISSYSRUFRWRKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-16(18)13-3-1-2-11(8-13)10-20-14-5-4-12-6-7-19-15(12)9-14/h1-9H,10H2,(H,17,18).
What are the key properties of 3-(1-benzofuran-6-yloxymethyl)benzoic acid?
3-(1-benzofuran-6-yloxymethyl)benzoic acid has a molecular weight of 268.27 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-6-yloxymethyl)benzoic acid is sourced from PubChem (CID 155153911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).