2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone

C17H17ClO2S — CID 66139748

IUPAC2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CSc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClO2S/c1-2-11-20-14-9-7-13(8-10-14)16(19)12-21-17-6-4-3-5-15(17)18/h3-10H,2,11-12H2,1H3
InChIKeyJAJPFCGBEULZCT-UHFFFAOYSA-N
MW320.84 g/mol
LogP5.10
Rot. Bonds7

About 2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone

2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone (PubChem CID 66139748) has the molecular formula C17H17ClO2S and a molecular weight of 320.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone
PubChem CID66139748
Molecular FormulaC17H17ClO2S
Molecular Weight320.84 g/mol
Exact Mass320.06
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone
SMILESCCCOc1ccc(C(=O)CSc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClO2S/c1-2-11-20-14-9-7-13(8-10-14)16(19)12-21-17-6-4-3-5-15(17)18/h3-10H,2,11-12H2,1H3
InChIKeyJAJPFCGBEULZCT-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.84
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223
2-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43412234
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
CID 79700591
2-tert-butylsulfanyl-1-(4-propoxyphenyl)ethanone
CID 65133875
(2,6-dichlorophenyl)-(4-propoxyphenyl)methanone
CID 114971046
2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
CID 107128341
(2-chlorophenyl)sulfanyl 4-octoxybenzoate;pentahydrofluoride
CID 173376112
N'-[2-(2-chlorophenoxy)acetyl]-4-oxo-4-(4-propoxyphenyl)butanehydrazide
CID 7978312
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
2-amino-1-(4-propoxyphenyl)ethanone;hydrochloride
CID 50988222
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone (CID 66139748) is 2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone is CCCOc1ccc(C(=O)CSc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone?
The InChIKey is JAJPFCGBEULZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO2S/c1-2-11-20-14-9-7-13(8-10-14)16(19)12-21-17-6-4-3-5-15(17)18/h3-10H,2,11-12H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone?
2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone has a molecular weight of 320.84 g/mol, XLogP of 5.10, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(4-propoxyphenyl)ethanone is sourced from PubChem (CID 66139748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).