1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene

C13H20O2S — CID 91656797

IUPAC1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene
SMILESCOc1ccc(SC)cc1OCCC(C)C
InChIInChI=1S/C13H20O2S/c1-10(2)7-8-15-13-9-11(16-4)5-6-12(13)14-3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyMZAAHDNATMUHDW-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.84
Rot. Bonds6

About 1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene

1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene (PubChem CID 91656797) has the molecular formula C13H20O2S and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene.

Molecular Properties

Compound Name1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene
PubChem CID91656797
Molecular FormulaC13H20O2S
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene
SMILESCOc1ccc(SC)cc1OCCC(C)C
InChIInChI=1S/C13H20O2S/c1-10(2)7-8-15-13-9-11(16-4)5-6-12(13)14-3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyMZAAHDNATMUHDW-UHFFFAOYSA-N
XLogP3.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dibromo-4,5-bis(3-methylbutoxy)benzene
CID 69302382
2-[[4-methoxy-3-(3-methylbutoxy)phenyl]methylidene]propanedinitrile
CID 49311619
[3-methoxy-4-(3-methylbutoxy)phenyl]methanethiol
CID 123919756
2-(bromomethyl)-1-methoxy-4-methylsulfanylbenzene
CID 142016625
[4-methoxy-3-[2-(3-methylbutoxy)ethoxy]phenyl]methanol
CID 61484214
1,3-difluoro-2-(3-methylbutoxy)-5-methylsulfanylbenzene
CID 91655653
1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999445
1-[4-methoxy-3-(4-methylpentoxy)phenyl]-N-methylmethanamine
CID 83152802
O-[2-(2-methoxy-5-methylsulfanylphenyl)ethyl]hydroxylamine
CID 117304512
2-butoxy-4-(disulfanyl)-1-methoxybenzene
CID 123973432
1-(2-methoxy-4-methylsulfanylphenyl)propan-2-ol
CID 117303281
2-methoxy-N-(6-methylheptan-2-yl)-4-methylsulfanylbenzamide
CID 2915555

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene?
The IUPAC name of 1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene (CID 91656797) is 1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene.
What is the SMILES notation for 1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene?
The canonical SMILES for 1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene is COc1ccc(SC)cc1OCCC(C)C.
What is the InChIKey of 1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene?
The InChIKey is MZAAHDNATMUHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2S/c1-10(2)7-8-15-13-9-11(16-4)5-6-12(13)14-3/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene?
1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene has a molecular weight of 240.37 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(3-methylbutoxy)-4-methylsulfanylbenzene is sourced from PubChem (CID 91656797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).