7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene

C19H19FO2S — CID 21182686

IUPAC7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene
SMILESCOc1ccc2cc(-c3ccc(OC(C)(C)C)cc3)sc2c1F
InChIInChI=1S/C19H19FO2S/c1-19(2,3)22-14-8-5-12(6-9-14)16-11-13-7-10-15(21-4)17(20)18(13)23-16/h5-11H,1-4H3
InChIKeySAKUWPGKEIDXHZ-UHFFFAOYSA-N
MW330.42 g/mol
LogP5.89
Rot. Bonds3

About 7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene

7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene (PubChem CID 21182686) has the molecular formula C19H19FO2S and a molecular weight of 330.42 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene.

Molecular Properties

Compound Name7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene
PubChem CID21182686
Molecular FormulaC19H19FO2S
Molecular Weight330.42 g/mol
Exact Mass330.11
IUPAC Name7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene
SMILESCOc1ccc2cc(-c3ccc(OC(C)(C)C)cc3)sc2c1F
InChIInChI=1S/C19H19FO2S/c1-19(2,3)22-14-8-5-12(6-9-14)16-11-13-7-10-15(21-4)17(20)18(13)23-16/h5-11H,1-4H3
InChIKeySAKUWPGKEIDXHZ-UHFFFAOYSA-N
XLogP5.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.42
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene?
The IUPAC name of 7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene (CID 21182686) is 7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene.
What is the SMILES notation for 7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene?
The canonical SMILES for 7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene is COc1ccc2cc(-c3ccc(OC(C)(C)C)cc3)sc2c1F.
What is the InChIKey of 7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene?
The InChIKey is SAKUWPGKEIDXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO2S/c1-19(2,3)22-14-8-5-12(6-9-14)16-11-13-7-10-15(21-4)17(20)18(13)23-16/h5-11H,1-4H3.
What are the key properties of 7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene?
7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene has a molecular weight of 330.42 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-benzothiophene is sourced from PubChem (CID 21182686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).