2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone

C18H20OS — CID 63406815

IUPAC2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1cccc(SCC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H20OS/c1-13(2)15-7-9-16(10-8-15)18(19)12-20-17-6-4-5-14(3)11-17/h4-11,13H,12H2,1-3H3
InChIKeyQEJLHKSJTXPDHV-UHFFFAOYSA-N
MW284.42 g/mol
LogP5.09
Rot. Bonds5

About 2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone

2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 63406815) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is 2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
PubChem CID63406815
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
SMILESCc1cccc(SCC(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C18H20OS/c1-13(2)15-7-9-16(10-8-15)18(19)12-20-17-6-4-5-14(3)11-17/h4-11,13H,12H2,1-3H3
InChIKeyQEJLHKSJTXPDHV-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

1-(3-methylphenyl)-2-(4-propan-2-ylphenyl)sulfanylethanone
CID 43802265
1-(4-bromophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 63406773
2-(4-chlorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43413042
2-(3-bromophenyl)sulfanyl-1-(4-methylphenyl)ethanone
CID 63407740
1-(1,3-benzodioxol-5-yl)-2-(3-methylphenyl)sulfanylethanone
CID 47356559
2-(2-fluorophenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 43412043
1-(2-bromo-6-chlorophenyl)-2-(3-methylphenyl)sulfanylethanone
CID 114268997
2-(4-fluorophenyl)sulfanyl-1-(3-methylphenyl)ethanone
CID 43802304
2-(2-methylpropylsulfanyl)-1-(4-propan-2-ylphenyl)ethanone
CID 43412801
2-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]sulfanylacetic acid
CID 146004506
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanone
CID 65142436
2-(2,5-dimethylphenyl)-1-(4-propan-2-ylphenyl)ethanone
CID 63411827

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone (CID 63406815) is 2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone is Cc1cccc(SCC(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of 2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is QEJLHKSJTXPDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-13(2)15-7-9-16(10-8-15)18(19)12-20-17-6-4-5-14(3)11-17/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone?
2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone 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 2-(3-methylphenyl)sulfanyl-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 63406815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).