3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol

C15H12O4 — CID 117181099

IUPAC3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
SMILESOc1ccc(OCc2coc3c(O)cccc23)cc1
InChIInChI=1S/C15H12O4/c16-11-4-6-12(7-5-11)18-8-10-9-19-15-13(10)2-1-3-14(15)17/h1-7,9,16-17H,8H2
InChIKeyBDQPEVTVVYAAFU-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.42
Rot. Bonds3

About 3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol

3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol (PubChem CID 117181099) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol.

Molecular Properties

Compound Name3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
PubChem CID117181099
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
SMILESOc1ccc(OCc2coc3c(O)cccc23)cc1
InChIInChI=1S/C15H12O4/c16-11-4-6-12(7-5-11)18-8-10-9-19-15-13(10)2-1-3-14(15)17/h1-7,9,16-17H,8H2
InChIKeyBDQPEVTVVYAAFU-UHFFFAOYSA-N
XLogP3.42
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol?
The IUPAC name of 3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol (CID 117181099) is 3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol.
What is the SMILES notation for 3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol?
The canonical SMILES for 3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol is Oc1ccc(OCc2coc3c(O)cccc23)cc1.
What is the InChIKey of 3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol?
The InChIKey is BDQPEVTVVYAAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-11-4-6-12(7-5-11)18-8-10-9-19-15-13(10)2-1-3-14(15)17/h1-7,9,16-17H,8H2.
What are the key properties of 3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol?
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol has a molecular weight of 256.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol is sourced from PubChem (CID 117181099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).