(3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone

C18H16OS — CID 13451233

IUPAC(3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone
SMILESCC1=C(C)CSC(C(=O)c2ccc3ccccc3c2)=C1
InChIInChI=1S/C18H16OS/c1-12-9-17(20-11-13(12)2)18(19)16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11H2,1-2H3
InChIKeyJNQYJIUHDDECOL-UHFFFAOYSA-N
MW280.39 g/mol
LogP4.99
Rot. Bonds2

About (3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone

(3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone (PubChem CID 13451233) has the molecular formula C18H16OS and a molecular weight of 280.39 g/mol. Its IUPAC name is (3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone
PubChem CID13451233
Molecular FormulaC18H16OS
Molecular Weight280.39 g/mol
Exact Mass280.09
IUPAC Name(3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone
SMILESCC1=C(C)CSC(C(=O)c2ccc3ccccc3c2)=C1
InChIInChI=1S/C18H16OS/c1-12-9-17(20-11-13(12)2)18(19)16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11H2,1-2H3
InChIKeyJNQYJIUHDDECOL-UHFFFAOYSA-N
XLogP4.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

dinaphthalen-2-ylmethanone
CID 10945915
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
(3,5-dimethylthiophen-2-yl)-naphthalen-2-ylmethanone
CID 81156369
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
(5-methylpyrazin-2-yl)-naphthalen-2-ylmethanone
CID 105094784
naphthalene-2-carboxylic acid
CID 175967775
2-(4-methyl-1,3-thiazol-2-yl)-1-naphthalen-2-ylethanone
CID 60976974
cyclobuten-1-yl(naphthalen-2-yl)methanone
CID 102414446
naphthalene-2-carboxylic acid;dihydrochloride
CID 70357946
(3-methoxythiophen-2-yl)-naphthalen-2-ylmethanone
CID 81118249

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone?
The IUPAC name of (3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone (CID 13451233) is (3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone is CC1=C(C)CSC(C(=O)c2ccc3ccccc3c2)=C1.
What is the InChIKey of (3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone?
The InChIKey is JNQYJIUHDDECOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16OS/c1-12-9-17(20-11-13(12)2)18(19)16-8-7-14-5-3-4-6-15(14)10-16/h3-10H,11H2,1-2H3.
What are the key properties of (3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone?
(3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone has a molecular weight of 280.39 g/mol, XLogP of 4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-2H-thiopyran-6-yl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 13451233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).