1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one

C18H19ClO3S — CID 159542863

IUPAC1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one
SMILESCOc1cc(OC)c(CC(=O)Cc2cccc(SC)c2)cc1Cl
InChIInChI=1S/C18H19ClO3S/c1-21-17-11-18(22-2)16(19)10-13(17)9-14(20)7-12-5-4-6-15(8-12)23-3/h4-6,8,10-11H,7,9H2,1-3H3
InChIKeyMEKXSJPGIXYNBU-UHFFFAOYSA-N
MW350.87 g/mol
LogP4.43
Rot. Bonds7

About 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one

1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one (PubChem CID 159542863) has the molecular formula C18H19ClO3S and a molecular weight of 350.87 g/mol. Its IUPAC name is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one
PubChem CID159542863
Molecular FormulaC18H19ClO3S
Molecular Weight350.87 g/mol
Exact Mass350.07
IUPAC Name1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one
SMILESCOc1cc(OC)c(CC(=O)Cc2cccc(SC)c2)cc1Cl
InChIInChI=1S/C18H19ClO3S/c1-21-17-11-18(22-2)16(19)10-13(17)9-14(20)7-12-5-4-6-15(8-12)23-3/h4-6,8,10-11H,7,9H2,1-3H3
InChIKeyMEKXSJPGIXYNBU-UHFFFAOYSA-N
XLogP4.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-(3-chlorophenyl)propan-2-one
CID 62620945
1-(3-methylsulfanylphenyl)propan-2-one
CID 53248151
2-(3-methylsulfanylphenyl)acetamide
CID 55254407
1-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 39433553
benzyl 3-(3-methylsulfanylphenyl)-2-oxopropanoate
CID 134392562
1-(5-chloro-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 103047948
1-(2-fluoro-3-methoxyphenyl)-3-(3-methylphenyl)propan-2-one
CID 104793404
1-(3-chloro-4-methoxyphenyl)-3-sulfanylpropan-2-one
CID 58139123
1-(3,4-dichlorophenyl)-3-(3-fluoro-4-methoxyphenyl)propan-2-one
CID 62622130
ethyl 3-[3-(5-fluoro-2-methoxyphenyl)-2-oxopropyl]benzoate
CID 159856504
1-(3,5-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62620261
1-chloro-5-(chloromethyl)-2,4-dimethoxybenzene
CID 82645011

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one?
The IUPAC name of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one (CID 159542863) is 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one.
What is the SMILES notation for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one?
The canonical SMILES for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one is COc1cc(OC)c(CC(=O)Cc2cccc(SC)c2)cc1Cl.
What is the InChIKey of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one?
The InChIKey is MEKXSJPGIXYNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClO3S/c1-21-17-11-18(22-2)16(19)10-13(17)9-14(20)7-12-5-4-6-15(8-12)23-3/h4-6,8,10-11H,7,9H2,1-3H3.
What are the key properties of 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one?
1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one has a molecular weight of 350.87 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methylsulfanylphenyl)propan-2-one is sourced from PubChem (CID 159542863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).