(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone

C17H14OS — CID 81156369

IUPAC(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone
SMILESCc1cc(C)c(C(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C17H14OS/c1-11-9-12(2)19-17(11)16(18)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3
InChIKeyWDOLXGGVSAJQEG-UHFFFAOYSA-N
MW266.37 g/mol
LogP4.75
Rot. Bonds2

About (3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone

(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone (PubChem CID 81156369) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone
PubChem CID81156369
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone
SMILESCc1cc(C)c(C(=O)c2ccc3ccccc3c2)s1
InChIInChI=1S/C17H14OS/c1-11-9-12(2)19-17(11)16(18)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3
InChIKeyWDOLXGGVSAJQEG-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

(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
dinaphthalen-2-ylmethanone
CID 10945915
(3-bromo-4-chlorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 107998381
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
(3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone
CID 13451233
(5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone
CID 105094784
naphthalene-2-carboxylic acid
CID 175967775
3,5-dimethylthiophene-2-carboxylic acid
CID 819558

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone (CID 81156369) is (3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone is Cc1cc(C)c(C(=O)c2ccc3ccccc3c2)s1.
What is the InChIKey of (3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone?
The InChIKey is WDOLXGGVSAJQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c1-11-9-12(2)19-17(11)16(18)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3.
What are the key properties of (3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone?
(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone 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 (3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 81156369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).