4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol

C16H15NO3 — CID 117174167

IUPAC4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol
SMILESNCc1ccc2occ(COc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H15NO3/c17-8-11-1-6-16-15(7-11)12(10-20-16)9-19-14-4-2-13(18)3-5-14/h1-7,10,18H,8-9,17H2
InChIKeyZCCVJOHQBMCPSB-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.18
Rot. Bonds4

About 4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol

4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol (PubChem CID 117174167) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol.

Molecular Properties

Compound Name4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol
PubChem CID117174167
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol
SMILESNCc1ccc2occ(COc3ccc(O)cc3)c2c1
InChIInChI=1S/C16H15NO3/c17-8-11-1-6-16-15(7-11)12(10-20-16)9-19-14-4-2-13(18)3-5-14/h1-7,10,18H,8-9,17H2
InChIKeyZCCVJOHQBMCPSB-UHFFFAOYSA-N
XLogP3.18
TPSA68.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(4-methylphenoxy)methyl]-1-benzofuran-5-yl]methanamine
CID 117174164
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-5-ol
CID 117174309
4-[(5-methyl-1-benzofuran-3-yl)methoxy]phenol
CID 117185001
[3-(pyridin-3-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174169
[3-(propan-2-yloxymethyl)-1-benzofuran-5-yl]methanamine
CID 117174176
N-[[5-(aminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
CID 117174172
5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174314
5-fluoro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174312
4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol
CID 117178289
4-[[4-[[3-[[4-(aminomethyl)phenoxy]methyl]phenyl]methoxy]phenyl]methyl]phenol
CID 20685429
3-[(4-hydroxyphenoxy)methyl]-1-benzofuran-7-ol
CID 117181099
4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol
CID 117170417

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol?
The IUPAC name of 4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol (CID 117174167) is 4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol.
What is the SMILES notation for 4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol?
The canonical SMILES for 4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol is NCc1ccc2occ(COc3ccc(O)cc3)c2c1.
What is the InChIKey of 4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol?
The InChIKey is ZCCVJOHQBMCPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c17-8-11-1-6-16-15(7-11)12(10-20-16)9-19-14-4-2-13(18)3-5-14/h1-7,10,18H,8-9,17H2.
What are the key properties of 4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol?
4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol has a molecular weight of 269.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(aminomethyl)-1-benzofuran-3-yl]methoxy]phenol is sourced from PubChem (CID 117174167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).