(2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

C19H19NO7 — CID 24880117

IUPAC(2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C19H19NO7/c1-23-11-6-5-10-14(19(20)27-17(10)16(11)22)15(21)9-7-12(24-2)18(26-4)13(8-9)25-3/h5-8,22H,20H2,1-4H3
InChIKeyWHIZKSTYGYPORO-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.99
Rot. Bonds6

About (2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

(2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 24880117) has the molecular formula C19H19NO7 and a molecular weight of 373.36 g/mol. Its IUPAC name is (2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID24880117
Molecular FormulaC19H19NO7
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name(2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C19H19NO7/c1-23-11-6-5-10-14(19(20)27-17(10)16(11)22)15(21)9-7-12(24-2)18(26-4)13(8-9)25-3/h5-8,22H,20H2,1-4H3
InChIKeyWHIZKSTYGYPORO-UHFFFAOYSA-N
XLogP2.99
TPSA113.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 24880117) is (2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(N)oc3c(O)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of (2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WHIZKSTYGYPORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO7/c1-23-11-6-5-10-14(19(20)27-17(10)16(11)22)15(21)9-7-12(24-2)18(26-4)13(8-9)25-3/h5-8,22H,20H2,1-4H3.
What are the key properties of (2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 373.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 24880117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).