[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol

C22H19NO4S — CID 86730671

IUPAC[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2Oc2ccc(CO)nc2)cc1
InChIInChI=1S/C22H19NO4S/c1-25-16-6-3-14(4-7-16)22-21(27-18-8-5-15(13-24)23-12-18)19-10-9-17(26-2)11-20(19)28-22/h3-12,24H,13H2,1-2H3
InChIKeyLBOJZSLQNQIZQX-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.27
Rot. Bonds6

About [5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol

[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol (PubChem CID 86730671) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is [5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol
PubChem CID86730671
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Name[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2Oc2ccc(CO)nc2)cc1
InChIInChI=1S/C22H19NO4S/c1-25-16-6-3-14(4-7-16)22-21(27-18-8-5-15(13-24)23-12-18)19-10-9-17(26-2)11-20(19)28-22/h3-12,24H,13H2,1-2H3
InChIKeyLBOJZSLQNQIZQX-UHFFFAOYSA-N
XLogP5.27
TPSA60.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol with MolForge

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Related Compounds

3-(4-bromophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 86730652
2-[4-[[6-methoxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]acetaldehyde
CID 135278449
[4-[[2-(4-fluorophenyl)-6-methoxy-1-benzothiophen-3-yl]oxy]phenyl] hypoiodite
CID 142407796
methyl 3-[5-[[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]prop-2-enoate
CID 154041550
3-iodo-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 11326918
4-[6-methoxy-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenol;hydrochloride
CID 21253271
2-(4-methoxyphenyl)-3-(4-prop-2-enylphenoxy)-1-benzothiophen-6-ol
CID 141409052
tert-butyl 2-[2-[2-[2-[4-[[6-methoxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]ethoxy]ethoxy]ethoxy]acetate
CID 123339946
4-[6-methoxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenol;hydrochloride
CID 21253223
1-[2-[4-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]phenyl]sulfanyloxyethyl]pyrrolidine
CID 21253265
methyl 6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene-3-carboxylate
CID 54390123
6-methoxy-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1-benzothiophene
CID 10741585

Frequently Asked Questions

What is the IUPAC name of [5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol?
The IUPAC name of [5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol (CID 86730671) is [5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol.
What is the SMILES notation for [5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol?
The canonical SMILES for [5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol is COc1ccc(-c2sc3cc(OC)ccc3c2Oc2ccc(CO)nc2)cc1.
What is the InChIKey of [5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol?
The InChIKey is LBOJZSLQNQIZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-25-16-6-3-14(4-7-16)22-21(27-18-8-5-15(13-24)23-12-18)19-10-9-17(26-2)11-20(19)28-22/h3-12,24H,13H2,1-2H3.
What are the key properties of [5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol?
[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol has a molecular weight of 393.46 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol is sourced from PubChem (CID 86730671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).