1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone

C16H15ClO2S — CID 66095674

IUPAC1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1ccccc1C
InChIInChI=1S/C16H15ClO2S/c1-11-5-3-4-6-16(11)20-10-14(18)13-9-12(17)7-8-15(13)19-2/h3-9H,10H2,1-2H3
InChIKeyBZNPPZORFAGCHO-UHFFFAOYSA-N
MW306.81 g/mol
LogP4.63
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone

1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone (PubChem CID 66095674) has the molecular formula C16H15ClO2S and a molecular weight of 306.81 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
PubChem CID66095674
Molecular FormulaC16H15ClO2S
Molecular Weight306.81 g/mol
Exact Mass306.05
IUPAC Name1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
SMILESCOc1ccc(Cl)cc1C(=O)CSc1ccccc1C
InChIInChI=1S/C16H15ClO2S/c1-11-5-3-4-6-16(11)20-10-14(18)13-9-12(17)7-8-15(13)19-2/h3-9H,10H2,1-2H3
InChIKeyBZNPPZORFAGCHO-UHFFFAOYSA-N
XLogP4.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.81
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072256
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
N-(5-chloro-2-methoxyphenyl)-2-[methyl-[2-(2-methylphenyl)sulfanylacetyl]amino]acetamide
CID 9438210
1-(5-chloro-2-methoxyphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethanone
CID 864613
5-chloro-N'-[2-(2,4-dimethylphenyl)sulfanylacetyl]-2-methoxybenzohydrazide
CID 9472212
1-(5-chloro-2-methoxyphenyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 1151025
1-(5-chloro-2-methoxyphenyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 66096098
2-(2,4-difluorophenyl)sulfanyl-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 43224824
2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 43232681
1-(5-chloro-2-methoxyphenyl)-4-methylpentan-1-one
CID 62791296
1-(3-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889923
1-(2,5-dichlorophenyl)-3-(2-methylphenyl)sulfanylpropan-2-one
CID 66095260

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone (CID 66095674) is 1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone is COc1ccc(Cl)cc1C(=O)CSc1ccccc1C.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone?
The InChIKey is BZNPPZORFAGCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO2S/c1-11-5-3-4-6-16(11)20-10-14(18)13-9-12(17)7-8-15(13)19-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone?
1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone has a molecular weight of 306.81 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-2-(2-methylphenyl)sulfanylethanone is sourced from PubChem (CID 66095674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).