(3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone

C16H13NO3 — CID 693230

IUPAC(3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2N)cc1
InChIInChI=1S/C16H13NO3/c1-19-11-8-6-10(7-9-11)15(18)16-14(17)12-4-2-3-5-13(12)20-16/h2-9H,17H2,1H3
InChIKeyBLZJBFVSORKWST-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.25
Rot. Bonds3

About (3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone

(3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone (PubChem CID 693230) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
PubChem CID693230
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2N)cc1
InChIInChI=1S/C16H13NO3/c1-19-11-8-6-10(7-9-11)15(18)16-14(17)12-4-2-3-5-13(12)20-16/h2-9H,17H2,1H3
InChIKeyBLZJBFVSORKWST-UHFFFAOYSA-N
XLogP3.25
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone (CID 693230) is (3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2oc3ccccc3c2N)cc1.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
The InChIKey is BLZJBFVSORKWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-11-8-6-10(7-9-11)15(18)16-14(17)12-4-2-3-5-13(12)20-16/h2-9H,17H2,1H3.
What are the key properties of (3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone?
(3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone has a molecular weight of 267.28 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 693230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).