2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one

C18H20O2S — CID 43413679

IUPAC2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H20O2S/c1-12-5-10-17(11-13(12)2)21-14(3)18(19)15-6-8-16(20-4)9-7-15/h5-11,14H,1-4H3
InChIKeyKGXWENFJPNMJFZ-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.68
Rot. Bonds5

About 2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one

2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one (PubChem CID 43413679) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
PubChem CID43413679
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
SMILESCOc1ccc(C(=O)C(C)Sc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C18H20O2S/c1-12-5-10-17(11-13(12)2)21-14(3)18(19)15-6-8-16(20-4)9-7-15/h5-11,14H,1-4H3
InChIKeyKGXWENFJPNMJFZ-UHFFFAOYSA-N
XLogP4.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)sulfanylpropan-1-one
CID 60603523
2-(3,4-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224954
(2R)-2-[[5-(3,4-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 7754144
1-(3-chlorophenyl)-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 43232367
N-[4-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-methoxybenzamide
CID 22780100
2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 102925420
2-(3-bromophenyl)sulfanyl-1-(3,4-dimethylphenyl)propan-1-one
CID 63407823
2-(2,5-difluorophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43224881
2-naphthalen-2-ylsulfanyl-1-phenylpropan-1-one
CID 43411864
2-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135585314
(2S)-2-(3,4-dimethylphenyl)sulfanyl-N-(2-methoxyphenyl)propanamide
CID 2635570
2-(2-bromophenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one
CID 43232307

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one (CID 43413679) is 2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one is COc1ccc(C(=O)C(C)Sc2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
The InChIKey is KGXWENFJPNMJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c1-12-5-10-17(11-13(12)2)21-14(3)18(19)15-6-8-16(20-4)9-7-15/h5-11,14H,1-4H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one?
2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one has a molecular weight of 300.42 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfanyl-1-(4-methoxyphenyl)propan-1-one is sourced from PubChem (CID 43413679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).