2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone

C18H20O2S — CID 104659325

IUPAC2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CSc1ccccc1C
InChIInChI=1S/C18H20O2S/c1-3-12-20-17-10-6-5-9-15(17)16(19)13-21-18-11-7-4-8-14(18)2/h4-11H,3,12-13H2,1-2H3
InChIKeyNLXNSSWSEKDAST-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.76
Rot. Bonds7

About 2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone

2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone (PubChem CID 104659325) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
PubChem CID104659325
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
SMILESCCCOc1ccccc1C(=O)CSc1ccccc1C
InChIInChI=1S/C18H20O2S/c1-3-12-20-17-10-6-5-9-15(17)16(19)13-21-18-11-7-4-8-14(18)2/h4-11H,3,12-13H2,1-2H3
InChIKeyNLXNSSWSEKDAST-UHFFFAOYSA-N
XLogP4.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274
2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659280
2-(4-bromophenyl)sulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659319
1-(2-ethoxyphenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43802210
2-hydroxy-1-(2-propoxyphenyl)butan-1-one
CID 103452946
2-cyclopropyl-1-(2-propoxyphenyl)ethanone
CID 104659396
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 66095674
phenyl-(2-propoxyphenyl)methanone
CID 15556308
2-amino-1-(2-hexadecoxyphenyl)ethanone
CID 170860308
3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one
CID 103458373
2-(2,5-dimethylphenyl)sulfanyl-N-(2-propoxyphenyl)acetamide
CID 42150419

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone?
The IUPAC name of 2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone (CID 104659325) is 2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone?
The canonical SMILES for 2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone is CCCOc1ccccc1C(=O)CSc1ccccc1C.
What is the InChIKey of 2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone?
The InChIKey is NLXNSSWSEKDAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c1-3-12-20-17-10-6-5-9-15(17)16(19)13-21-18-11-7-4-8-14(18)2/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone?
2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone has a molecular weight of 300.42 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)sulfanyl-1-(2-propoxyphenyl)ethanone is sourced from PubChem (CID 104659325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).