1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene

C15H22OS — CID 91563538

IUPAC1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene
SMILESC=C(SC)c1cc(C)cc(C)c1OC(C)(C)C
InChIInChI=1S/C15H22OS/c1-10-8-11(2)14(16-15(4,5)6)13(9-10)12(3)17-7/h8-9H,3H2,1-2,4-7H3
InChIKeyJOTZZASCRBOUMX-UHFFFAOYSA-N
MW250.41 g/mol
LogP4.81
Rot. Bonds3

About 1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene

1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene (PubChem CID 91563538) has the molecular formula C15H22OS and a molecular weight of 250.41 g/mol. Its IUPAC name is 1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene.

Molecular Properties

Compound Name1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene
PubChem CID91563538
Molecular FormulaC15H22OS
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene
SMILESC=C(SC)c1cc(C)cc(C)c1OC(C)(C)C
InChIInChI=1S/C15H22OS/c1-10-8-11(2)14(16-15(4,5)6)13(9-10)12(3)17-7/h8-9H,3H2,1-2,4-7H3
InChIKeyJOTZZASCRBOUMX-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-2-[(2-methylpropan-2-yl)oxy]-5-prop-1-en-2-ylbenzene
CID 159812574
2,3-dimethyl-3-(2,4,6-trimethylphenoxy)butan-2-ol
CID 174880154
2,2-dimethyl-3-(2,4,6-trimethylphenoxy)propanethioamide
CID 82087771
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580
10-tert-butyl-1,3,6,8-tetramethylanthracene
CID 59821346
2,3,6-trimethyl-4-[2,3,5-trimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]phenol
CID 155313673
2,3-diethyl-5-methyl-4-[(2-methylpropan-2-yl)oxy]phenol
CID 162375128
1-(2-methoxy-3,5-dimethylphenyl)-2-methyl-2-(methylamino)propan-1-one
CID 116918725
pentakis(1,3-bis(2,2-dimethylpropyl)-5-methyl-2-[(2-methylpropan-2-yl)oxy]benzene);propane
CID 162289377
2-methylprop-1-ene;1,2,5-trimethyl-3-prop-1-en-2-ylbenzene
CID 145154814
1-[2,4-dimethyl-6-[(2-methylpropan-2-yl)oxy]phenyl]-2,2-dimethylpropan-1-one
CID 21060132
[4-[(2-methylpropan-2-yl)oxy]phenyl]-(2,4,6-trimethylphenyl)methanone
CID 141016400

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene?
The IUPAC name of 1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene (CID 91563538) is 1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene.
What is the SMILES notation for 1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene?
The canonical SMILES for 1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene is C=C(SC)c1cc(C)cc(C)c1OC(C)(C)C.
What is the InChIKey of 1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene?
The InChIKey is JOTZZASCRBOUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22OS/c1-10-8-11(2)14(16-15(4,5)6)13(9-10)12(3)17-7/h8-9H,3H2,1-2,4-7H3.
What are the key properties of 1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene?
1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene has a molecular weight of 250.41 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2-[(2-methylpropan-2-yl)oxy]-3-(1-methylsulfanylethenyl)benzene is sourced from PubChem (CID 91563538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).