2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol

C21H21NO4 — CID 53301539

IUPAC2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol
SMILESCOc1cccc(-c2oc3c(c2-c2ccc(OC)nc2)C(O)CCC3)c1
InChIInChI=1S/C21H21NO4/c1-24-15-6-3-5-13(11-15)21-19(14-9-10-18(25-2)22-12-14)20-16(23)7-4-8-17(20)26-21/h3,5-6,9-12,16,23H,4,7-8H2,1-2H3
InChIKeyRGNRIQUXLOAYNR-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.40
Rot. Bonds4

About 2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol

2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol (PubChem CID 53301539) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol
PubChem CID53301539
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol
SMILESCOc1cccc(-c2oc3c(c2-c2ccc(OC)nc2)C(O)CCC3)c1
InChIInChI=1S/C21H21NO4/c1-24-15-6-3-5-13(11-15)21-19(14-9-10-18(25-2)22-12-14)20-16(23)7-4-8-17(20)26-21/h3,5-6,9-12,16,23H,4,7-8H2,1-2H3
InChIKeyRGNRIQUXLOAYNR-UHFFFAOYSA-N
XLogP4.40
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol with MolForge

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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
1-{[(E)-Pyridin-4-ylmethylimino]-methyl}-6,7,8,9-tetrahydro-dibenzofuran-2-ol
CID 916087
N-[2-(5-Methoxy-2-pyridin-3-ylmethyl-benzofuran-3-yl)-ethyl]-acetamide
CID 11088627
[6-Methoxy-2-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 11633757
4-[5-(3-Cyclopentyloxy-4-methoxy-phenyl)-furan-2-yl]-pyridine
CID 20583506
2-[3-[(4-Acetyl-3-hydroxy-2-propylphenoxy)methyl]phenoxy]pyridine-4-carboxylic acid
CID 59599576
Pyridylmethanol, 8f
CID 57340428
(4-Methoxyphenyl)-[2-(4-methoxyphenyl)-5-(6-methoxy-3-pyridinyl)-1-benzofuran-3-yl]methanone
CID 24747827
Isupsl-cho-2-120-S1-2
CID 24747885
Isupsl-cho-2-107C
CID 24761241
Propyl 2-(4-methoxyphenyl)-5-(6-methoxypyridin-3-yl)benzofuran-3-carboxylate
CID 24818794

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol?
The IUPAC name of 2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol (CID 53301539) is 2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol?
The canonical SMILES for 2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol is COc1cccc(-c2oc3c(c2-c2ccc(OC)nc2)C(O)CCC3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol?
The InChIKey is RGNRIQUXLOAYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-24-15-6-3-5-13(11-15)21-19(14-9-10-18(25-2)22-12-14)20-16(23)7-4-8-17(20)26-21/h3,5-6,9-12,16,23H,4,7-8H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol?
2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol has a molecular weight of 351.40 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-(6-methoxy-3-pyridinyl)-4,5,6,7-tetrahydro-1-benzofuran-4-ol is sourced from PubChem (CID 53301539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).