1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone

C15H12Cl2O2S — CID 43218829

IUPAC1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H12Cl2O2S/c1-19-11-3-5-12(6-4-11)20-9-15(18)13-8-10(16)2-7-14(13)17/h2-8H,9H2,1H3
InChIKeyDNSGNUBKDXYIOV-UHFFFAOYSA-N
MW327.23 g/mol
LogP4.98
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone

1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone (PubChem CID 43218829) has the molecular formula C15H12Cl2O2S and a molecular weight of 327.23 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
PubChem CID43218829
Molecular FormulaC15H12Cl2O2S
Molecular Weight327.23 g/mol
Exact Mass325.99
IUPAC Name1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
SMILESCOc1ccc(SCC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C15H12Cl2O2S/c1-19-11-3-5-12(6-4-11)20-9-15(18)13-8-10(16)2-7-14(13)17/h2-8H,9H2,1H3
InChIKeyDNSGNUBKDXYIOV-UHFFFAOYSA-N
XLogP4.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218865
2-(4-chlorophenyl)sulfanyl-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 7892267
2-(2,5-dichlorophenyl)sulfanyl-1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 3312316
1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)sulfanylethanone
CID 43411730
1-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43218862
1-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)sulfanylethanone
CID 66072256
1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylethanone
CID 91880247
2-(4-chlorophenyl)sulfanyl-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92680171
4-chloro-N'-[2-(4-methoxyphenyl)sulfanylacetyl]benzohydrazide
CID 26649394
3-(4-chlorophenyl)sulfanyl-1-hydrazinylidene-1-(4-methoxyphenyl)propan-2-one
CID 173298807
1-(3-chloro-4-methoxyphenyl)-2-naphthalen-2-ylsulfanylethanone
CID 7489262
1-(3-fluorophenyl)-2-(4-methoxyphenyl)sulfanylethanone
CID 43226534

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone (CID 43218829) is 1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone is COc1ccc(SCC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
The InChIKey is DNSGNUBKDXYIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2O2S/c1-19-11-3-5-12(6-4-11)20-9-15(18)13-8-10(16)2-7-14(13)17/h2-8H,9H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone?
1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone has a molecular weight of 327.23 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(4-methoxyphenyl)sulfanylethanone is sourced from PubChem (CID 43218829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).