1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene

C24H32OS — CID 144789620

IUPAC1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene
SMILESC=C(C)S/C=C(\C)c1ccc(C)cc1.CCOc1cc(C)c(C)cc1C
InChIInChI=1S/C13H16S.C11H16O/c1-10(2)14-9-12(4)13-7-5-11(3)6-8-13;1-5-12-11-7-9(3)8(2)6-10(11)4/h5-9H,1H2,2-4H3;6-7H,5H2,1-4H3/b12-9+;
InChIKeyAPRAWZSIKXTZHP-NBYYMMLRSA-N
MW368.59 g/mol
LogP7.63
Rot. Bonds5

About 1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene

1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene (PubChem CID 144789620) has the molecular formula C24H32OS and a molecular weight of 368.59 g/mol. Its IUPAC name is 1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene.

Molecular Properties

Compound Name1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene
PubChem CID144789620
Molecular FormulaC24H32OS
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene
SMILESC=C(C)S/C=C(\C)c1ccc(C)cc1.CCOc1cc(C)c(C)cc1C
InChIInChI=1S/C13H16S.C11H16O/c1-10(2)14-9-12(4)13-7-5-11(3)6-8-13;1-5-12-11-7-9(3)8(2)6-10(11)4/h5-9H,1H2,2-4H3;6-7H,5H2,1-4H3/b12-9+;
InChIKeyAPRAWZSIKXTZHP-NBYYMMLRSA-N
XLogP7.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
1-benzyl-4-methylbenzene;2-(3-ethoxy-4-methylphenyl)-5-prop-1-en-2-ylpyridine
CID 143393843
(2-amino-4,5-diethoxyphenyl)-(4-methylphenyl)methanone
CID 143779063
3,4,5-triethoxy-N-[1-(4-methylphenyl)propylideneamino]benzamide
CID 4109578
2-ethoxy-4,5-dimethylphenol
CID 82053903
(4-ethoxy-2,5-dimethylphenyl)boronic acid
CID 44558120
(Z)-3-(3-ethoxy-4-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 954780
(Z)-3-(4-ethoxy-3-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 954721
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
1-methyl-4-[(2E,5E)-6-(4-methylphenyl)hepta-2,5-dien-2-yl]benzene
CID 169013280
5-methoxy-N,2-dimethyl-4-[(E)-2-methyl-3-[1-(4-methylphenyl)ethenylsulfanyl]prop-2-enyl]aniline
CID 144794902

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene?
The IUPAC name of 1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene (CID 144789620) is 1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene.
What is the SMILES notation for 1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene?
The canonical SMILES for 1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene is C=C(C)S/C=C(\C)c1ccc(C)cc1.CCOc1cc(C)c(C)cc1C.
What is the InChIKey of 1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene?
The InChIKey is APRAWZSIKXTZHP-NBYYMMLRSA-N. The full InChI is InChI=1S/C13H16S.C11H16O/c1-10(2)14-9-12(4)13-7-5-11(3)6-8-13;1-5-12-11-7-9(3)8(2)6-10(11)4/h5-9H,1H2,2-4H3;6-7H,5H2,1-4H3/b12-9+;.
What are the key properties of 1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene?
1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene has a molecular weight of 368.59 g/mol, XLogP of 7.63, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,4,5-trimethylbenzene;1-methyl-4-[(E)-1-prop-1-en-2-ylsulfanylprop-1-en-2-yl]benzene is sourced from PubChem (CID 144789620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).