1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene

C18H20O2S — CID 102282483

IUPAC1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene
SMILESC=C(c1ccccc1C)c1cc(OC)ccc1S(=O)CC
InChIInChI=1S/C18H20O2S/c1-5-21(19)18-11-10-15(20-4)12-17(18)14(3)16-9-7-6-8-13(16)2/h6-12H,3,5H2,1-2,4H3
InChIKeyOMFNHLHOOSHEPB-UHFFFAOYSA-N
MW300.42 g/mol
LogP4.19
Rot. Bonds5

About 1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene

1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene (PubChem CID 102282483) has the molecular formula C18H20O2S and a molecular weight of 300.42 g/mol. Its IUPAC name is 1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene
PubChem CID102282483
Molecular FormulaC18H20O2S
Molecular Weight300.42 g/mol
Exact Mass300.12
IUPAC Name1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene
SMILESC=C(c1ccccc1C)c1cc(OC)ccc1S(=O)CC
InChIInChI=1S/C18H20O2S/c1-5-21(19)18-11-10-15(20-4)12-17(18)14(3)16-9-7-6-8-13(16)2/h6-12H,3,5H2,1-2,4H3
InChIKeyOMFNHLHOOSHEPB-UHFFFAOYSA-N
XLogP4.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-[1-(2-methylphenyl)ethenyl]benzene
CID 25187424
1-methoxy-3-[1-(2-methylphenyl)ethenyl]benzene
CID 102265187
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916212
2-methoxy-1-(5-methoxy-2-methylphenyl)ethanone
CID 19880580
2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62025582
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916267
4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline
CID 81207791
1-ethyl-4-methoxy-2-prop-1-en-2-ylbenzene
CID 70233927
2-[(3-methoxyphenyl)methylsulfinyl]benzoic acid
CID 60982128
2,4-dimethoxy-N'-(2-methylbenzoyl)benzohydrazide
CID 793888
2-[1-(2,5-dimethoxyphenyl)ethenyl]aniline
CID 86018625
N-(2,4-dimethoxyphenyl)-4-(2-methylphenyl)-4-oxobutanamide
CID 110423070

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene?
The IUPAC name of 1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene (CID 102282483) is 1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene.
What is the SMILES notation for 1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene?
The canonical SMILES for 1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene is C=C(c1ccccc1C)c1cc(OC)ccc1S(=O)CC.
What is the InChIKey of 1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene?
The InChIKey is OMFNHLHOOSHEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2S/c1-5-21(19)18-11-10-15(20-4)12-17(18)14(3)16-9-7-6-8-13(16)2/h6-12H,3,5H2,1-2,4H3.
What are the key properties of 1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene?
1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene has a molecular weight of 300.42 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfinyl-4-methoxy-2-[1-(2-methylphenyl)ethenyl]benzene is sourced from PubChem (CID 102282483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).