1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone

C14H14O3S — CID 81428930

IUPAC1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone
SMILESCc1ccc2ccccc2c1C(=O)CS(C)(=O)=O
InChIInChI=1S/C14H14O3S/c1-10-7-8-11-5-3-4-6-12(11)14(10)13(15)9-18(2,16)17/h3-8H,9H2,1-2H3
InChIKeyNBCFIXCZFXEJHS-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.38
Rot. Bonds3

About 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone

1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone (PubChem CID 81428930) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone
PubChem CID81428930
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Name1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone
SMILESCc1ccc2ccccc2c1C(=O)CS(C)(=O)=O
InChIInChI=1S/C14H14O3S/c1-10-7-8-11-5-3-4-6-12(11)14(10)13(15)9-18(2,16)17/h3-8H,9H2,1-2H3
InChIKeyNBCFIXCZFXEJHS-UHFFFAOYSA-N
XLogP2.38
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(2-methylnaphthalen-1-yl)ethanone;1-(2-methylnaphthalen-1-yl)ethanone;molecular bromine
CID 162190058
methyl 4-(2-methylnaphthalen-1-yl)-4-oxobutanoate
CID 82550346
2-methyl-N,N-di(propan-2-yl)naphthalene-1-carboxamide
CID 15828026
2-(4-bromophenyl)-1-(2-methylnaphthalen-1-yl)ethanone
CID 81430854
(2-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430773
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
1-(2-methylnaphthalen-1-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052523
1-(2-methylnaphthalen-1-yl)-2-piperazin-1-ylethanone
CID 82263116
2-methyl-1-prop-1-en-2-ylnaphthalene
CID 123573503
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557
2-chloro-1-(2-methylnaphthalen-1-yl)butan-1-one
CID 146007450

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone?
The IUPAC name of 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone (CID 81428930) is 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone.
What is the SMILES notation for 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone?
The canonical SMILES for 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone is Cc1ccc2ccccc2c1C(=O)CS(C)(=O)=O.
What is the InChIKey of 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone?
The InChIKey is NBCFIXCZFXEJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-10-7-8-11-5-3-4-6-12(11)14(10)13(15)9-18(2,16)17/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone?
1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone has a molecular weight of 262.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylnaphthalen-1-yl)-2-methylsulfonylethanone is sourced from PubChem (CID 81428930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).