1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene

C11H16OS — CID 116932253

IUPAC1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene
SMILESCOCc1ccc(SC(C)C)cc1
InChIInChI=1S/C11H16OS/c1-9(2)13-11-6-4-10(5-7-11)8-12-3/h4-7,9H,8H2,1-3H3
InChIKeyQZNYSWQBZNOZDJ-UHFFFAOYSA-N
MW196.31 g/mol
LogP3.33
Rot. Bonds4

About 1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene

1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene (PubChem CID 116932253) has the molecular formula C11H16OS and a molecular weight of 196.31 g/mol. Its IUPAC name is 1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene.

Molecular Properties

Compound Name1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene
PubChem CID116932253
Molecular FormulaC11H16OS
Molecular Weight196.31 g/mol
Exact Mass196.09
IUPAC Name1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene
SMILESCOCc1ccc(SC(C)C)cc1
InChIInChI=1S/C11H16OS/c1-9(2)13-11-6-4-10(5-7-11)8-12-3/h4-7,9H,8H2,1-3H3
InChIKeyQZNYSWQBZNOZDJ-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.31
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(methoxymethyl)-4-(propan-2-yloxymethyl)benzene
CID 70670788
2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 63820186
1-(methoxymethyl)-4-phenylsulfanylbenzene
CID 174608576
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene
CID 21396720
1-(methoxymethyl)-4-[[4-(methoxymethyl)phenyl]methoxymethyl]benzene;hydrochloride
CID 67583384
2-methyl-N-[(4-propan-2-ylsulfanylphenyl)methyl]propan-1-amine
CID 63808063
1-(methoxymethyl)-4-[4-(2-methylpropyl)phenyl]benzene
CID 149288523
azane;1-(methoxymethyl)-4-methylbenzene
CID 175555359
methane;1-(methoxymethyl)-4-methylbenzene
CID 158294039
N-(cyanomethyl)-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 96663358
1-[4-(difluoromethylsulfonyl)phenyl]sulfanyl-4-(methoxymethyl)benzene
CID 133428577
N-[[4-(methoxymethyl)phenyl]methyl]-2-methylpropan-1-amine
CID 60751693

Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene?
The IUPAC name of 1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene (CID 116932253) is 1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene.
What is the SMILES notation for 1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene?
The canonical SMILES for 1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene is COCc1ccc(SC(C)C)cc1.
What is the InChIKey of 1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene?
The InChIKey is QZNYSWQBZNOZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16OS/c1-9(2)13-11-6-4-10(5-7-11)8-12-3/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene?
1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene has a molecular weight of 196.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)-4-propan-2-ylsulfanylbenzene is sourced from PubChem (CID 116932253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).