(4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone

C16H13NO3 — CID 877208

IUPAC(4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone
SMILESCOc1ccc2occ(C(=O)c3ccc(N)cc3)c2c1
InChIInChI=1S/C16H13NO3/c1-19-12-6-7-15-13(8-12)14(9-20-15)16(18)10-2-4-11(17)5-3-10/h2-9H,17H2,1H3
InChIKeyKQPULNJLZBFNAQ-UHFFFAOYSA-N
MW267.28 g/mol
LogP3.25
Rot. Bonds3

About (4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone

(4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone (PubChem CID 877208) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone.

Molecular Properties

Compound Name(4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone
PubChem CID877208
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone
SMILESCOc1ccc2occ(C(=O)c3ccc(N)cc3)c2c1
InChIInChI=1S/C16H13NO3/c1-19-12-6-7-15-13(8-12)14(9-20-15)16(18)10-2-4-11(17)5-3-10/h2-9H,17H2,1H3
InChIKeyKQPULNJLZBFNAQ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-3-dibenzofuranamine
CID 22086
5-Hydroxy-2-(4-aminophenyl)benzofuran
CID 11499570
5-Methoxy-2-(4-aminophenyl)benzofuran
CID 11579589
5-Methoxy-2-(4-dimethylaminophenyl)benzofuran
CID 11673398
5-Methoxy-2-(4-methylaminophenyl)benzofuran
CID 11708629
5-(5-(2-(2-(2-[18F]Fluoroethoxy)ethoxy)ethoxy)benzofuran-2-yl)-N-methylbenzenamine
CID 52951983
5-Ethoxy-2-phenyl-1-benzofuran-3-carboxamide
CID 800773
4-(2-(5-methoxybenzofuran-2-yl)vinyl)-N-methylbenzenamine
CID 25110763
4-(2-(5-methoxybenzofuran-2-yl)vinyl)-N,N-dimethylbenzenamine
CID 44548343
4-(2-(5-Methoxybenzofuran-2-yl)vinyl)benzenamine
CID 44548346
(5-Methoxy-2-methyl-1-benzofuran-3-yl)(4-nitrophenyl)methanone
CID 915309
4-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1-benzofuran-2-yl]-N-methylaniline
CID 52951981

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone?
The IUPAC name of (4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone (CID 877208) is (4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone.
What is the SMILES notation for (4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone?
The canonical SMILES for (4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone is COc1ccc2occ(C(=O)c3ccc(N)cc3)c2c1.
What is the InChIKey of (4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone?
The InChIKey is KQPULNJLZBFNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-19-12-6-7-15-13(8-12)14(9-20-15)16(18)10-2-4-11(17)5-3-10/h2-9H,17H2,1H3.
What are the key properties of (4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone?
(4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)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 (4-aminophenyl)-(5-methoxy-1-benzofuran-3-yl)methanone is sourced from PubChem (CID 877208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).