1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone

C18H20OS — CID 43802265

IUPAC1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone
SMILESCc1cccc(C(=O)CSc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H20OS/c1-13(2)15-7-9-17(10-8-15)20-12-18(19)16-6-4-5-14(3)11-16/h4-11,13H,12H2,1-3H3
InChIKeyALXMBKMOGSRCHT-UHFFFAOYSA-N
MW284.42 g/mol
LogP5.09
Rot. Bonds5

About 1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone

1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone (PubChem CID 43802265) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone
PubChem CID43802265
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone
SMILESCc1cccc(C(=O)CSc2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H20OS/c1-13(2)15-7-9-17(10-8-15)20-12-18(19)16-6-4-5-14(3)11-16/h4-11,13H,12H2,1-3H3
InChIKeyALXMBKMOGSRCHT-UHFFFAOYSA-N
XLogP5.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.42
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 63406815
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43413042
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(3-methylphenyl)ethanone
CID 55058139
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
CID 65142436
S-[2-(3-methylphenyl)-2-oxoethyl] ethanethioate
CID 143157663
[4-(3-methylbenzoyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110365418
3-methyl-N-[2-[(4-propan-2-ylbenzoyl)amino]ethyl]benzamide
CID 108573755
1-(3-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43411868
1-[3-(2-methylpropyl)phenyl]-2-phenylsulfanylethanone
CID 116543260
1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 63406773
1-(3-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylethanone
CID 43413761

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone?
The IUPAC name of 1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone (CID 43802265) is 1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone?
The canonical SMILES for 1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone is Cc1cccc(C(=O)CSc2ccc(C(C)C)cc2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone?
The InChIKey is ALXMBKMOGSRCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-13(2)15-7-9-17(10-8-15)20-12-18(19)16-6-4-5-14(3)11-16/h4-11,13H,12H2,1-3H3.
What are the key properties of 1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone?
1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone has a molecular weight of 284.42 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone is sourced from PubChem (CID 43802265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).