6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene

C23H20O3S — CID 141409047

IUPAC6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene
SMILESCOCc1ccccc1-c1sc2cc(OC)ccc2c1Oc1ccccc1
InChIInChI=1S/C23H20O3S/c1-24-15-16-8-6-7-11-19(16)23-22(26-17-9-4-3-5-10-17)20-13-12-18(25-2)14-21(20)27-23/h3-14H,15H2,1-2H3
InChIKeyXGNHMJJVAFXXMI-UHFFFAOYSA-N
MW376.48 g/mol
LogP6.52
Rot. Bonds6

About 6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene

6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene (PubChem CID 141409047) has the molecular formula C23H20O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene.

Molecular Properties

Compound Name6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene
PubChem CID141409047
Molecular FormulaC23H20O3S
Molecular Weight376.48 g/mol
Exact Mass376.11
IUPAC Name6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene
SMILESCOCc1ccccc1-c1sc2cc(OC)ccc2c1Oc1ccccc1
InChIInChI=1S/C23H20O3S/c1-24-15-16-8-6-7-11-19(16)23-22(26-17-9-4-3-5-10-17)20-13-12-18(25-2)14-21(20)27-23/h3-14H,15H2,1-2H3
InChIKeyXGNHMJJVAFXXMI-UHFFFAOYSA-N
XLogP6.52
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-hydroxyethyl)phenyl]-3-phenoxy-1-benzothiophen-6-ol
CID 141409055
3-(4-bromophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 86730652
6-methoxy-2,3-diphenyl-1-benzothiophene
CID 13013583
1-[2-[4-[(6-methoxy-2-phenyl-1-benzothiophen-3-yl)oxy]phenoxy]ethyl]piperidine
CID 15429025
[4-[[2-(4-fluorophenyl)-6-methoxy-1-benzothiophen-3-yl]oxy]phenyl] hypoiodite
CID 142407796
2-[4-[[6-methoxy-2-(4-methylphenyl)-1-benzothiophen-3-yl]oxy]phenoxy]acetaldehyde
CID 135278449
tert-butyl (E)-3-[4-[[2-(2-isocyanophenyl)-6-methoxy-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoate
CID 123265198
3-[4-[[6-hydroxy-2-(2-propan-2-ylphenyl)-1-benzothiophen-3-yl]oxy]phenyl]propanoic acid
CID 90372211
[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]-2-pyridinyl]methanol
CID 86730671
(E)-3-[4-[[6-hydroxy-2-(4-methoxy-2-propan-2-ylphenyl)-1-benzothiophen-3-yl]oxy]phenyl]prop-2-enoic acid
CID 118574954
4-[6-methoxy-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenol;hydrochloride
CID 21253271
4-[6-methoxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenol;hydrochloride
CID 21253223

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene?
The IUPAC name of 6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene (CID 141409047) is 6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene.
What is the SMILES notation for 6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene?
The canonical SMILES for 6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene is COCc1ccccc1-c1sc2cc(OC)ccc2c1Oc1ccccc1.
What is the InChIKey of 6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene?
The InChIKey is XGNHMJJVAFXXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3S/c1-24-15-16-8-6-7-11-19(16)23-22(26-17-9-4-3-5-10-17)20-13-12-18(25-2)14-21(20)27-23/h3-14H,15H2,1-2H3.
What are the key properties of 6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene?
6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene has a molecular weight of 376.48 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[2-(methoxymethyl)phenyl]-3-phenoxy-1-benzothiophene is sourced from PubChem (CID 141409047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).