2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene

C19H24O2S — CID 134318324

IUPAC2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene
SMILESCCSC(c1ccc(C)cc1)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C19H24O2S/c1-6-22-19(15-9-7-13(2)8-10-15)18-16(20-4)11-14(3)12-17(18)21-5/h7-12,19H,6H2,1-5H3
InChIKeyDFIDSAHTOPCQAU-UHFFFAOYSA-N
MW316.47 g/mol
LogP5.16
Rot. Bonds6

About 2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene

2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene (PubChem CID 134318324) has the molecular formula C19H24O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene.

Molecular Properties

Compound Name2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene
PubChem CID134318324
Molecular FormulaC19H24O2S
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Name2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene
SMILESCCSC(c1ccc(C)cc1)c1c(OC)cc(C)cc1OC
InChIInChI=1S/C19H24O2S/c1-6-22-19(15-9-7-13(2)8-10-15)18-16(20-4)11-14(3)12-17(18)21-5/h7-12,19H,6H2,1-5H3
InChIKeyDFIDSAHTOPCQAU-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-dimethoxy-4-methylphenyl)-ethylsulfanylmethyl]phenol
CID 134318371
(4-ethylsulfanylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanamine
CID 106848613
methyl 4-[ethylsulfanyl-(2-methoxy-5-methylphenyl)methyl]benzoate
CID 134318373
(1R)-1-(2,6-dimethoxy-4-methylphenyl)hexan-1-amine
CID 171215923
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
N-[(4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680359
(1S)-1-(2,6-dimethoxy-4-methylphenyl)butan-1-amine;hydrochloride
CID 171235550
(4-ethylsulfanylphenyl)-(2-methoxy-5-methylphenyl)methanol
CID 106848292
1-(2-methoxy-4,6-dimethylphenyl)-2-propan-2-ylsulfanylethanamine
CID 106680616
(2-methoxy-4,6-dimethylphenyl)-(4-methoxyphenyl)methanamine
CID 106680347
1-[bromo-(4-methylphenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 63443811
2-chloro-4-[chloro-(4-methylphenyl)methyl]-1-methoxybenzene
CID 55198679

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene?
The IUPAC name of 2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene (CID 134318324) is 2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene.
What is the SMILES notation for 2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene?
The canonical SMILES for 2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene is CCSC(c1ccc(C)cc1)c1c(OC)cc(C)cc1OC.
What is the InChIKey of 2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene?
The InChIKey is DFIDSAHTOPCQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2S/c1-6-22-19(15-9-7-13(2)8-10-15)18-16(20-4)11-14(3)12-17(18)21-5/h7-12,19H,6H2,1-5H3.
What are the key properties of 2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene?
2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene has a molecular weight of 316.47 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfanyl-(4-methylphenyl)methyl]-1,3-dimethoxy-5-methylbenzene is sourced from PubChem (CID 134318324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).