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

C15H11NO3 — CID 10848471

IUPAC(3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
SMILESNc1c(C(=O)c2ccc(O)cc2)oc2ccccc12
InChIInChI=1S/C15H11NO3/c16-13-11-3-1-2-4-12(11)19-15(13)14(18)9-5-7-10(17)8-6-9/h1-8,17H,16H2
InChIKeyLKTVTJOPKBNYBQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.95
Rot. Bonds2

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

(3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone (PubChem CID 10848471) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is (3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
PubChem CID10848471
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name(3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
SMILESNc1c(C(=O)c2ccc(O)cc2)oc2ccccc12
InChIInChI=1S/C15H11NO3/c16-13-11-3-1-2-4-12(11)19-15(13)14(18)9-5-7-10(17)8-6-9/h1-8,17H,16H2
InChIKeyLKTVTJOPKBNYBQ-UHFFFAOYSA-N
XLogP2.95
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone (CID 10848471) is (3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone is Nc1c(C(=O)c2ccc(O)cc2)oc2ccccc12.
What is the InChIKey of (3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is LKTVTJOPKBNYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c16-13-11-3-1-2-4-12(11)19-15(13)14(18)9-5-7-10(17)8-6-9/h1-8,17H,16H2.
What are the key properties of (3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone?
(3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 253.26 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 10848471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).