(2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone

C18H20OS — CID 79215685

IUPAC(2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCCc1ccc(CC)c(C(=O)c2ccc(SC)cc2)c1
InChIInChI=1S/C18H20OS/c1-4-13-6-7-14(5-2)17(12-13)18(19)15-8-10-16(20-3)11-9-15/h6-12H,4-5H2,1-3H3
InChIKeyIHJMPDWPWJIJLQ-UHFFFAOYSA-N
MW284.42 g/mol
LogP4.76
Rot. Bonds5

About (2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone

(2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone (PubChem CID 79215685) has the molecular formula C18H20OS and a molecular weight of 284.42 g/mol. Its IUPAC name is (2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name(2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone
PubChem CID79215685
Molecular FormulaC18H20OS
Molecular Weight284.42 g/mol
Exact Mass284.12
IUPAC Name(2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone
SMILESCCc1ccc(CC)c(C(=O)c2ccc(SC)cc2)c1
InChIInChI=1S/C18H20OS/c1-4-13-6-7-14(5-2)17(12-13)18(19)15-8-10-16(20-3)11-9-15/h6-12H,4-5H2,1-3H3
InChIKeyIHJMPDWPWJIJLQ-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-4-fluorophenyl)-(2,5-diethylphenyl)methanone
CID 107949896
2-(4-ethylphenyl)-1-(4-methylsulfanylphenyl)ethanone
CID 114963469
methyl 2-ethyl-5-methylsulfanylbenzoate
CID 91880894
1-ethyl-4-methylsulfanylbenzene
CID 142218139
2,5-diethylbenzoyl iodide
CID 139959906
(2,5-diethylbenzoyl) 2,5-diethylbenzoate
CID 150438529
(4-methylsulfanylphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693773
(4-methylsulfanylphenyl)-(2,3,4-trifluorophenyl)methanone
CID 112694186
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
(4-ethylphenyl)-[4-fluoro-2-(sulfanylmethyl)phenyl]methanone
CID 18779868
1-ethyl-4-methylsulfanylbenzene;methanamine
CID 168997767
(3-amino-5-bromo-2-methylphenyl)-(2,5-diethylphenyl)methanone
CID 107874174

Frequently Asked Questions

What is the IUPAC name of (2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone?
The IUPAC name of (2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone (CID 79215685) is (2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone.
What is the SMILES notation for (2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone?
The canonical SMILES for (2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone is CCc1ccc(CC)c(C(=O)c2ccc(SC)cc2)c1.
What is the InChIKey of (2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone?
The InChIKey is IHJMPDWPWJIJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20OS/c1-4-13-6-7-14(5-2)17(12-13)18(19)15-8-10-16(20-3)11-9-15/h6-12H,4-5H2,1-3H3.
What are the key properties of (2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone?
(2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone has a molecular weight of 284.42 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-diethylphenyl)-(4-methylsulfanylphenyl)methanone is sourced from PubChem (CID 79215685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).