(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol

C22H19NO4 — CID 11624690

IUPAC(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol
SMILESCOc1ccc(C(O)(c2cccnc2)c2cc3ccc(OC)cc3o2)cc1
InChIInChI=1S/C22H19NO4/c1-25-18-9-6-16(7-10-18)22(24,17-4-3-11-23-14-17)21-12-15-5-8-19(26-2)13-20(15)27-21/h3-14,24H,1-2H3
InChIKeyDNPOZLKMPCEZQH-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.13
Rot. Bonds5

About (6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol

(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol (PubChem CID 11624690) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is (6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol.

Molecular Properties

Compound Name(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol
PubChem CID11624690
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol
SMILESCOc1ccc(C(O)(c2cccnc2)c2cc3ccc(OC)cc3o2)cc1
InChIInChI=1S/C22H19NO4/c1-25-18-9-6-16(7-10-18)22(24,17-4-3-11-23-14-17)21-12-15-5-8-19(26-2)13-20(15)27-21/h3-14,24H,1-2H3
InChIKeyDNPOZLKMPCEZQH-UHFFFAOYSA-N
XLogP4.13
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol?
The IUPAC name of (6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol (CID 11624690) is (6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol.
What is the SMILES notation for (6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol?
The canonical SMILES for (6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol is COc1ccc(C(O)(c2cccnc2)c2cc3ccc(OC)cc3o2)cc1.
What is the InChIKey of (6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol?
The InChIKey is DNPOZLKMPCEZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c1-25-18-9-6-16(7-10-18)22(24,17-4-3-11-23-14-17)21-12-15-5-8-19(26-2)13-20(15)27-21/h3-14,24H,1-2H3.
What are the key properties of (6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol?
(6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol has a molecular weight of 361.40 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-benzofuran-2-yl)-(4-methoxyphenyl)-pyridin-3-ylmethanol is sourced from PubChem (CID 11624690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).