1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene

C15H24O2S — CID 78849421

IUPAC1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene
SMILESCc1cccc(C)c1OCCSCCOC(C)C
InChIInChI=1S/C15H24O2S/c1-12(2)16-8-10-18-11-9-17-15-13(3)6-5-7-14(15)4/h5-7,12H,8-11H2,1-4H3
InChIKeyUNOFHRLYNHHJGY-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.84
Rot. Bonds8

About 1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene

1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene (PubChem CID 78849421) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene.

Molecular Properties

Compound Name1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene
PubChem CID78849421
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene
SMILESCc1cccc(C)c1OCCSCCOC(C)C
InChIInChI=1S/C15H24O2S/c1-12(2)16-8-10-18-11-9-17-15-13(3)6-5-7-14(15)4/h5-7,12H,8-11H2,1-4H3
InChIKeyUNOFHRLYNHHJGY-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-diethoxypropoxy)-1,3-dimethylbenzene
CID 63628446
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyridine
CID 47105922
1,3-dimethyl-2-propoxybenzene
CID 579040
2-(2,6-dimethylphenoxy)ethylhydrazine
CID 82125287
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792
2-decoxy-1,3-dimethylbenzene
CID 83057478
1,3-dimethyl-2-(2-phenoxyethoxy)benzene
CID 78906435
N,N-dimethyl-2-(2-methyl-6-propan-2-ylphenoxy)ethanamine
CID 20679121
dichloro-[2-(2,6-dimethylphenoxy)ethyl]alumane
CID 163214352
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
2-(2,6-dimethylphenoxy)ethyl-trimethylazanium bromide
CID 12633
1-chloro-3-fluoro-2-(2-propan-2-yloxyethylsulfanylmethyl)benzene
CID 78849252

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene?
The IUPAC name of 1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene (CID 78849421) is 1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene.
What is the SMILES notation for 1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene?
The canonical SMILES for 1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene is Cc1cccc(C)c1OCCSCCOC(C)C.
What is the InChIKey of 1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene?
The InChIKey is UNOFHRLYNHHJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-12(2)16-8-10-18-11-9-17-15-13(3)6-5-7-14(15)4/h5-7,12H,8-11H2,1-4H3.
What are the key properties of 1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene?
1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene has a molecular weight of 268.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-[2-(2-propan-2-yloxyethylsulfanyl)ethoxy]benzene is sourced from PubChem (CID 78849421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).