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

C18H17NO6 — CID 162675807

IUPAC(2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3cc(O)ccc23)cc(OC)c1OC
InChIInChI=1S/C18H17NO6/c1-22-13-6-9(7-14(23-2)17(13)24-3)16(21)15-11-5-4-10(20)8-12(11)25-18(15)19/h4-8,20H,19H2,1-3H3
InChIKeyOYVZQCSVKMVIOD-UHFFFAOYSA-N
MW343.34 g/mol
LogP2.98
Rot. Bonds5

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

(2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 162675807) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is (2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID162675807
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Name(2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(N)oc3cc(O)ccc23)cc(OC)c1OC
InChIInChI=1S/C18H17NO6/c1-22-13-6-9(7-14(23-2)17(13)24-3)16(21)15-11-5-4-10(20)8-12(11)25-18(15)19/h4-8,20H,19H2,1-3H3
InChIKeyOYVZQCSVKMVIOD-UHFFFAOYSA-N
XLogP2.98
TPSA104.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2-Amino-7-hydroxy-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 24880117
Tubulin polymerization-IN-13
CID 162665763
(2-Amino-6-methoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162667200
(2-Amino-6-methyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162673436
2-(4-N-Methylpiperazino)-3-(3,4,5-trimethoxybenzoyl)-6-methoxy-benzo[b]furan
CID 11510481
[7-Hydroxy-2-(2-hydroxyethylamino)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 24786556
(E)-3-[7-hydroxy-6-methoxy-3-(3,4,5-trimethoxybenzoyl)-1-benzofuran-2-yl]prop-2-enamide
CID 24880051
[2-[2-(Dimethylamino)ethylamino]-7-hydroxy-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 24880118
[2-(3-Amino-4-methoxyphenyl)-6-methoxy-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 56676497
(2-Amino-6-fluoro-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162643743
(2-Amino-6-bromo-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162664091
(2-Amino-6-propoxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 162667229

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 162675807) is (2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(N)oc3cc(O)ccc23)cc(OC)c1OC.
What is the InChIKey of (2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OYVZQCSVKMVIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6/c1-22-13-6-9(7-14(23-2)17(13)24-3)16(21)15-11-5-4-10(20)8-12(11)25-18(15)19/h4-8,20H,19H2,1-3H3.
What are the key properties of (2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 343.34 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-hydroxy-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 162675807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).