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

C23H21NO7 — CID 11633205

IUPAC(7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-n3cccc3)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C23H21NO7/c1-27-15-8-7-14-18(23(24-9-5-6-10-24)31-21(14)20(15)26)19(25)13-11-16(28-2)22(30-4)17(12-13)29-3/h5-12,26H,1-4H3
InChIKeyPIFWAAWNDKULCB-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.19
Rot. Bonds7

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

(7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 11633205) has the molecular formula C23H21NO7 and a molecular weight of 423.42 g/mol. Its IUPAC name is (7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID11633205
Molecular FormulaC23H21NO7
Molecular Weight423.42 g/mol
Exact Mass423.13
IUPAC Name(7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(-n3cccc3)oc3c(O)c(OC)ccc23)cc(OC)c1OC
InChIInChI=1S/C23H21NO7/c1-27-15-8-7-14-18(23(24-9-5-6-10-24)31-21(14)20(15)26)19(25)13-11-16(28-2)22(30-4)17(12-13)29-3/h5-12,26H,1-4H3
InChIKeyPIFWAAWNDKULCB-UHFFFAOYSA-N
XLogP4.19
TPSA92.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-Methoxybenzofuran-2-yl-(4-fluorophenyl)-3-pyridylmethanol
CID 10020714
(6-Methoxybenzofuran-2-yl)-(4-methoxyphenyl)-3-pyridyl-methanol
CID 11624690
[6-Methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 11633757
(2-(4-Methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)benzofuran-3-yl)(6-methoxypyridin-3-yl)methanone
CID 24818786
(S)-(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol
CID 76327865
(2Z)-2-[(1-butyl-5-methoxyindol-3-yl)methylidene]-4,6-dihydroxy-1-benzofuran-3-one
CID 90676993
5,7-Dimethoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
CID 90667795
7-Methoxy-4-phenyl-3-phenylmethoxy-[1]benzofuro[2,3-b]pyridin-6-ol
CID 90667794
4-(3-Methoxyphenyl)-5-(methylamino)-2-pyridin-3-ylfuran-3-ol
CID 53789326
5-hydroxy-3-(2-methoxy-4-pyridinyl)-N-[3-(trifluoromethyl)phenyl]-7-oxabicyclo[2.2.1]hepta-1,3,5-triene-2-carboxamide
CID 164071655
6-hydroxy-2-(2-methoxy-4-pyridyl)-N-methyl-4-(1-piperidylmethyl)benzofuran-3-carboxamide
CID 137206665
2-(N-imidazolyl)-7-hydroxy-3-(3,4,5-trimethoxybenzoyl)-6-methoxy-benzo[b]furan
CID 11510103

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 11633205) is (7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2c(-n3cccc3)oc3c(O)c(OC)ccc23)cc(OC)c1OC.
What is the InChIKey of (7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is PIFWAAWNDKULCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO7/c1-27-15-8-7-14-18(23(24-9-5-6-10-24)31-21(14)20(15)26)19(25)13-11-16(28-2)22(30-4)17(12-13)29-3/h5-12,26H,1-4H3.
What are the key properties of (7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone?
(7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 423.42 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-6-methoxy-2-pyrrol-1-yl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 11633205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).