3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid

C16H12O5 — CID 117181173

IUPAC3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cccc2c(COc3cccc(O)c3)coc12
InChIInChI=1S/C16H12O5/c17-11-3-1-4-12(7-11)20-8-10-9-21-15-13(10)5-2-6-14(15)16(18)19/h1-7,9,17H,8H2,(H,18,19)
InChIKeyAKAPDDUITWUOFJ-UHFFFAOYSA-N
MW284.27 g/mol
LogP3.42
Rot. Bonds4

About 3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid

3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid (PubChem CID 117181173) has the molecular formula C16H12O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
PubChem CID117181173
Molecular FormulaC16H12O5
Molecular Weight284.27 g/mol
Exact Mass284.07
IUPAC Name3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cccc2c(COc3cccc(O)c3)coc12
InChIInChI=1S/C16H12O5/c17-11-3-1-4-12(7-11)20-8-10-9-21-15-13(10)5-2-6-14(15)16(18)19/h1-7,9,17H,8H2,(H,18,19)
InChIKeyAKAPDDUITWUOFJ-UHFFFAOYSA-N
XLogP3.42
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluorophenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181176
3-[(4-methoxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid
CID 117181179
ethane;2-[(3-hydroxyphenoxy)methyl]benzoic acid
CID 91444077
3-[(6-bromo-1-benzofuran-3-yl)methoxy]phenol
CID 117177645
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
2-[(3-hydroxyphenoxy)methyl]-1-benzothiophene-4-carboxylic acid
CID 117172973
3-(phenoxymethyl)-1-benzofuran-7-amine
CID 117181023
3-[(3-hydroxyphenoxy)methyl]-1-methylindole-4-carboxylic acid
CID 117171575
[3-[(3-chlorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180951
3-[(3-hydroxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256906
3-[(cyclobutylamino)methyl]-1-benzofuran-7-carboxylic acid
CID 117181152
3-methyl-1-benzofuran-7-carboxylic acid
CID 15643781

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid?
The IUPAC name of 3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid (CID 117181173) is 3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid is O=C(O)c1cccc2c(COc3cccc(O)c3)coc12.
What is the InChIKey of 3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid?
The InChIKey is AKAPDDUITWUOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O5/c17-11-3-1-4-12(7-11)20-8-10-9-21-15-13(10)5-2-6-14(15)16(18)19/h1-7,9,17H,8H2,(H,18,19).
What are the key properties of 3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid?
3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxyphenoxy)methyl]-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 117181173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).