cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone

C18H14OS — CID 43154050

IUPACcyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2ccc3ccccc3c2)s1)C1CC1
InChIInChI=1S/C18H14OS/c19-18(13-6-7-13)17-10-9-16(20-17)15-8-5-12-3-1-2-4-14(12)11-15/h1-5,8-11,13H,6-7H2
InChIKeyIVJWFLQEJUZQON-UHFFFAOYSA-N
MW278.38 g/mol
LogP5.16
Rot. Bonds3

About cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone

cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone (PubChem CID 43154050) has the molecular formula C18H14OS and a molecular weight of 278.38 g/mol. Its IUPAC name is cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone
PubChem CID43154050
Molecular FormulaC18H14OS
Molecular Weight278.38 g/mol
Exact Mass278.08
IUPAC Namecyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(-c2ccc3ccccc3c2)s1)C1CC1
InChIInChI=1S/C18H14OS/c19-18(13-6-7-13)17-10-9-16(20-17)15-8-5-12-3-1-2-4-14(12)11-15/h1-5,8-11,13H,6-7H2
InChIKeyIVJWFLQEJUZQON-UHFFFAOYSA-N
XLogP5.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.38
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone?
The IUPAC name of cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone (CID 43154050) is cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone?
The canonical SMILES for cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone is O=C(c1ccc(-c2ccc3ccccc3c2)s1)C1CC1.
What is the InChIKey of cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone?
The InChIKey is IVJWFLQEJUZQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14OS/c19-18(13-6-7-13)17-10-9-16(20-17)15-8-5-12-3-1-2-4-14(12)11-15/h1-5,8-11,13H,6-7H2.
What are the key properties of cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone?
cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone has a molecular weight of 278.38 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 43154050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).