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

C17H14OS — CID 43339492

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

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

(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone (PubChem CID 43339492) has the molecular formula C17H14OS and a molecular weight of 266.37 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
PubChem CID43339492
Molecular FormulaC17H14OS
Molecular Weight266.37 g/mol
Exact Mass266.08
IUPAC Name(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
SMILESCc1cc(C(=O)c2ccc3ccccc3c2)c(C)s1
InChIInChI=1S/C17H14OS/c1-11-9-16(12(2)19-11)17(18)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3
InChIKeyWXUIHIHYVWBHOS-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

(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone
CID 81156369
dinaphthalen-2-ylmethanone
CID 10945915
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161396
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
CID 43161390
(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 103219617
(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 81291094
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
CID 43339488
[4-(difluoromethoxy)phenyl]-(2,5-dimethylthiophen-3-yl)methanone
CID 43339479
(3-bromo-2-methoxyphenyl)-naphthalen-2-ylmethanone
CID 19432000
naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone
CID 132563110

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone (CID 43339492) is (2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone is Cc1cc(C(=O)c2ccc3ccccc3c2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone?
The InChIKey is WXUIHIHYVWBHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c1-11-9-16(12(2)19-11)17(18)15-8-7-13-5-3-4-6-14(13)10-15/h3-10H,1-2H3.
What are the key properties of (2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone?
(2,5-dimethylthiophen-3-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 (2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 43339492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).