3-methoxy-2-naphthalen-2-yl-1-benzothiophene

C19H14OS — CID 46228090

IUPAC3-methoxy-2-naphthalen-2-yl-1-benzothiophene
SMILESCOc1c(-c2ccc3ccccc3c2)sc2ccccc12
InChIInChI=1S/C19H14OS/c1-20-18-16-8-4-5-9-17(16)21-19(18)15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3
InChIKeyYEYQTECDHQFTJU-UHFFFAOYSA-N
MW290.39 g/mol
LogP5.73
Rot. Bonds2

About 3-methoxy-2-naphthalen-2-yl-1-benzothiophene

3-methoxy-2-naphthalen-2-yl-1-benzothiophene (PubChem CID 46228090) has the molecular formula C19H14OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-methoxy-2-naphthalen-2-yl-1-benzothiophene.

Molecular Properties

Compound Name3-methoxy-2-naphthalen-2-yl-1-benzothiophene
PubChem CID46228090
Molecular FormulaC19H14OS
Molecular Weight290.39 g/mol
Exact Mass290.08
IUPAC Name3-methoxy-2-naphthalen-2-yl-1-benzothiophene
SMILESCOc1c(-c2ccc3ccccc3c2)sc2ccccc12
InChIInChI=1S/C19H14OS/c1-20-18-16-8-4-5-9-17(16)21-19(18)15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3
InChIKeyYEYQTECDHQFTJU-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.39
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-naphthalen-2-yl-1-benzothiophene?
The IUPAC name of 3-methoxy-2-naphthalen-2-yl-1-benzothiophene (CID 46228090) is 3-methoxy-2-naphthalen-2-yl-1-benzothiophene.
What is the SMILES notation for 3-methoxy-2-naphthalen-2-yl-1-benzothiophene?
The canonical SMILES for 3-methoxy-2-naphthalen-2-yl-1-benzothiophene is COc1c(-c2ccc3ccccc3c2)sc2ccccc12.
What is the InChIKey of 3-methoxy-2-naphthalen-2-yl-1-benzothiophene?
The InChIKey is YEYQTECDHQFTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14OS/c1-20-18-16-8-4-5-9-17(16)21-19(18)15-11-10-13-6-2-3-7-14(13)12-15/h2-12H,1H3.
What are the key properties of 3-methoxy-2-naphthalen-2-yl-1-benzothiophene?
3-methoxy-2-naphthalen-2-yl-1-benzothiophene has a molecular weight of 290.39 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-naphthalen-2-yl-1-benzothiophene is sourced from PubChem (CID 46228090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).