4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol

C16H17NO3 — CID 56706999

IUPAC4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cccc3c2OC(CN)C3)ccc1O
InChIInChI=1S/C16H17NO3/c1-19-15-8-10(5-6-14(15)18)13-4-2-3-11-7-12(9-17)20-16(11)13/h2-6,8,12,18H,7,9,17H2,1H3
InChIKeyXBDSMXZOKLQBAT-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.33
Rot. Bonds3

About 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol

4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol (PubChem CID 56706999) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol
PubChem CID56706999
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol
SMILESCOc1cc(-c2cccc3c2OC(CN)C3)ccc1O
InChIInChI=1S/C16H17NO3/c1-19-15-8-10(5-6-14(15)18)13-4-2-3-11-7-12(9-17)20-16(11)13/h2-6,8,12,18H,7,9,17H2,1H3
InChIKeyXBDSMXZOKLQBAT-UHFFFAOYSA-N
XLogP2.33
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol?
The IUPAC name of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol (CID 56706999) is 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol?
The canonical SMILES for 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol is COc1cc(-c2cccc3c2OC(CN)C3)ccc1O.
What is the InChIKey of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol?
The InChIKey is XBDSMXZOKLQBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-19-15-8-10(5-6-14(15)18)13-4-2-3-11-7-12(9-17)20-16(11)13/h2-6,8,12,18H,7,9,17H2,1H3.
What are the key properties of 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol?
4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol has a molecular weight of 271.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-2,3-dihydro-1-benzofuran-7-yl]-2-methoxyphenol is sourced from PubChem (CID 56706999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).