4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol

C15H12O4 — CID 22889023

IUPAC4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol
SMILESOCc1cc2cccc(Oc3ccc(O)cc3)c2o1
InChIInChI=1S/C15H12O4/c16-9-13-8-10-2-1-3-14(15(10)19-13)18-12-6-4-11(17)5-7-12/h1-8,16-17H,9H2
InChIKeyAIVQEOKBYMDXAL-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.42
Rot. Bonds3

About 4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol

4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol (PubChem CID 22889023) has the molecular formula C15H12O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol
PubChem CID22889023
Molecular FormulaC15H12O4
Molecular Weight256.26 g/mol
Exact Mass256.07
IUPAC Name4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol
SMILESOCc1cc2cccc(Oc3ccc(O)cc3)c2o1
InChIInChI=1S/C15H12O4/c16-9-13-8-10-2-1-3-14(15(10)19-13)18-12-6-4-11(17)5-7-12/h1-8,16-17H,9H2
InChIKeyAIVQEOKBYMDXAL-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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Related Compounds

methyl 2-chloro-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]benzoate
CID 164580543
2-[(4-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182831
2-chloro-4-[[2-(fluoromethyl)-1-benzofuran-7-yl]oxy]benzoic acid
CID 164580629
2-[(4-methylphenoxy)methyl]-1-benzofuran-7-ol
CID 117182822
2-(aminooxymethyl)-1-benzofuran-7-ol
CID 117197013
2-chloro-N-methoxy-4-[[2-(methoxymethyl)-1-benzofuran-7-yl]oxy]-N-methylbenzamide
CID 164580605
4-methoxy-N-[(7-methoxy-1-benzofuran-2-yl)methyl]aniline
CID 43765976
2-(pyridin-3-yloxymethyl)-1-benzofuran-7-ol
CID 117182846
1-[5-(hydroxymethyl)-3-phenoxyfuran-2-yl]ethanol
CID 164703713
2-(7-methoxy-1-benzofuran-2-yl)-N-methylethanamine
CID 70557286
2-[(3-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182804
N-[(7-ethoxy-1-benzofuran-2-yl)methyl]ethanamine
CID 65440347

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol?
The IUPAC name of 4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol (CID 22889023) is 4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol.
What is the SMILES notation for 4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol?
The canonical SMILES for 4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol is OCc1cc2cccc(Oc3ccc(O)cc3)c2o1.
What is the InChIKey of 4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol?
The InChIKey is AIVQEOKBYMDXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O4/c16-9-13-8-10-2-1-3-14(15(10)19-13)18-12-6-4-11(17)5-7-12/h1-8,16-17H,9H2.
What are the key properties of 4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol?
4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol 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 4-[[2-(hydroxymethyl)-1-benzofuran-7-yl]oxy]phenol is sourced from PubChem (CID 22889023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).