1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene

C17H19ClS — CID 143979582

IUPAC1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene
SMILESCCc1cc(C)c(SC)cc1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClS/c1-4-14-9-12(2)17(19-3)11-15(14)10-13-5-7-16(18)8-6-13/h5-9,11H,4,10H2,1-3H3
InChIKeyMJIVSAGNAGPSOE-UHFFFAOYSA-N
MW290.86 g/mol
LogP5.52
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene

1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene (PubChem CID 143979582) has the molecular formula C17H19ClS and a molecular weight of 290.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene
PubChem CID143979582
Molecular FormulaC17H19ClS
Molecular Weight290.86 g/mol
Exact Mass290.09
IUPAC Name1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene
SMILESCCc1cc(C)c(SC)cc1Cc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClS/c1-4-14-9-12(2)17(19-3)11-15(14)10-13-5-7-16(18)8-6-13/h5-9,11H,4,10H2,1-3H3
InChIKeyMJIVSAGNAGPSOE-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.86
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[(4-ethylphenyl)methyl]-4-methyl-5-methylsulfanylbenzene
CID 143739419
4-chloro-1-methyl-2-methylsulfanylbenzene;ethane
CID 177366808
N-[(4-chlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 54798399
1-[(4-chlorophenyl)methyl]-2-[2-[(4-chlorophenyl)methyl]-4,6-dimethylphenyl]sulfonyl-3,5-dimethylbenzene
CID 70261696
N-[(4-chlorophenyl)methyl]-4-ethyl-3-methylaniline
CID 114250109
4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol
CID 139609307
2-[(4-chlorophenyl)methyl]-1,3,5-trimethylbenzene
CID 24763942
2-(2-fluoro-4-methyl-5-methylsulfanylphenyl)acetic acid
CID 117305515
4-(4-chlorophenyl)-2-ethyl-1-methylbenzene
CID 22968913
1-chloro-4-[(3-ethylphenyl)methyl]benzene
CID 142052916
1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
CID 142860311
2-[4-(4-chlorophenyl)sulfanyl-3-methylphenyl]acetic acid
CID 91876934

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene (CID 143979582) is 1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene is CCc1cc(C)c(SC)cc1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene?
The InChIKey is MJIVSAGNAGPSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClS/c1-4-14-9-12(2)17(19-3)11-15(14)10-13-5-7-16(18)8-6-13/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene?
1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene has a molecular weight of 290.86 g/mol, XLogP of 5.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-2-ethyl-4-methyl-5-methylsulfanylbenzene is sourced from PubChem (CID 143979582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).