(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone

C17H14OS — CID 79803418

IUPAC(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C17H14OS/c1-11-7-8-15(14-6-4-3-5-13(11)14)17(18)16-10-19-9-12(16)2/h3-10H,1-2H3
InChIKeyJEIIICAFKSTMSU-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.75
Rot. Bonds2

About (4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone

(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone (PubChem CID 79803418) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
PubChem CID79803418
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
SMILESCc1cscc1C(=O)c1ccc(C)c2ccccc12
InChIInChI=1S/C17H14OS/c1-11-7-8-15(14-6-4-3-5-13(11)14)17(18)16-10-19-9-12(16)2/h3-10H,1-2H3
InChIKeyJEIIICAFKSTMSU-UHFFFAOYSA-N
XLogP4.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromonaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone
CID 79802342
(2,5-dibromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960063
(3-chloro-2-methylphenyl)-(4-methylnaphthalen-1-yl)methanone
CID 107096188
(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960064
4-methylnaphthalene-1-carboxylate;thallium(1+)
CID 22604806
(2,4-difluorophenyl)-(4-methylthiophen-3-yl)methanone
CID 79802242
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752670
(4-benzylphenyl)-(4-methylthiophen-3-yl)methanone
CID 79812478
1-[(E)-but-2-en-2-yl]-4-methylnaphthalene
CID 144623185
(4-bromothiophen-3-yl)-(4-fluoronaphthalen-1-yl)methanone
CID 114088321
(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone
CID 107559906

Frequently Asked Questions

What is the IUPAC name of (4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone?
The IUPAC name of (4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone (CID 79803418) is (4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone is Cc1cscc1C(=O)c1ccc(C)c2ccccc12.
What is the InChIKey of (4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone?
The InChIKey is JEIIICAFKSTMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c1-11-7-8-15(14-6-4-3-5-13(11)14)17(18)16-10-19-9-12(16)2/h3-10H,1-2H3.
What are the key properties of (4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone?
(4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone has a molecular weight of 266.37 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylnaphthalen-1-yl)-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 79803418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).