1-methyl-3-naphthalen-1-yl-2-benzothiophene

C19H14S — CID 122577332

IUPAC1-methyl-3-naphthalen-1-yl-2-benzothiophene
SMILESCc1sc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C19H14S/c1-13-15-9-4-5-11-17(15)19(20-13)18-12-6-8-14-7-2-3-10-16(14)18/h2-12H,1H3
InChIKeyUGBYMUHSCQLGEZ-UHFFFAOYSA-N
MW274.39 g/mol
LogP6.03
Rot. Bonds1

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

1-methyl-3-naphthalen-1-yl-2-benzothiophene (PubChem CID 122577332) has the molecular formula C19H14S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-methyl-3-naphthalen-1-yl-2-benzothiophene.

Molecular Properties

Compound Name1-methyl-3-naphthalen-1-yl-2-benzothiophene
PubChem CID122577332
Molecular FormulaC19H14S
Molecular Weight274.39 g/mol
Exact Mass274.08
IUPAC Name1-methyl-3-naphthalen-1-yl-2-benzothiophene
SMILESCc1sc(-c2cccc3ccccc23)c2ccccc12
InChIInChI=1S/C19H14S/c1-13-15-9-4-5-11-17(15)19(20-13)18-12-6-8-14-7-2-3-10-16(14)18/h2-12H,1H3
InChIKeyUGBYMUHSCQLGEZ-UHFFFAOYSA-N
XLogP6.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.39
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-naphthalen-1-yl-2-benzothiophene?
The IUPAC name of 1-methyl-3-naphthalen-1-yl-2-benzothiophene (CID 122577332) is 1-methyl-3-naphthalen-1-yl-2-benzothiophene.
What is the SMILES notation for 1-methyl-3-naphthalen-1-yl-2-benzothiophene?
The canonical SMILES for 1-methyl-3-naphthalen-1-yl-2-benzothiophene is Cc1sc(-c2cccc3ccccc23)c2ccccc12.
What is the InChIKey of 1-methyl-3-naphthalen-1-yl-2-benzothiophene?
The InChIKey is UGBYMUHSCQLGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14S/c1-13-15-9-4-5-11-17(15)19(20-13)18-12-6-8-14-7-2-3-10-16(14)18/h2-12H,1H3.
What are the key properties of 1-methyl-3-naphthalen-1-yl-2-benzothiophene?
1-methyl-3-naphthalen-1-yl-2-benzothiophene has a molecular weight of 274.39 g/mol, XLogP of 6.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-naphthalen-1-yl-2-benzothiophene is sourced from PubChem (CID 122577332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).