1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene

C16H24OS — CID 168996646

IUPAC1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene
SMILESCC(C)CCOc1ccc(SC2(C)CCC2)cc1
InChIInChI=1S/C16H24OS/c1-13(2)9-12-17-14-5-7-15(8-6-14)18-16(3)10-4-11-16/h5-8,13H,4,9-12H2,1-3H3
InChIKeyACUVGYPHPIGXGJ-UHFFFAOYSA-N
MW264.43 g/mol
LogP5.15
Rot. Bonds6

About 1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene

1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene (PubChem CID 168996646) has the molecular formula C16H24OS and a molecular weight of 264.43 g/mol. Its IUPAC name is 1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene.

Molecular Properties

Compound Name1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene
PubChem CID168996646
Molecular FormulaC16H24OS
Molecular Weight264.43 g/mol
Exact Mass264.15
IUPAC Name1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene
SMILESCC(C)CCOc1ccc(SC2(C)CCC2)cc1
InChIInChI=1S/C16H24OS/c1-13(2)9-12-17-14-5-7-15(8-6-14)18-16(3)10-4-11-16/h5-8,13H,4,9-12H2,1-3H3
InChIKeyACUVGYPHPIGXGJ-UHFFFAOYSA-N
XLogP5.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.43
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(3-methylbutoxy)phenyl] formate
CID 54338269
1-ethyl-4-(3-methylbutoxy)benzene
CID 60722998
methyl-[4-(3-methylbutoxy)phenyl]iodanium
CID 168795737
1-(3-methylbutoxy)-4-phenylbenzene
CID 91725732
N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine
CID 19885290
2-[1-[[[4-(3-methylbutoxy)phenyl]methylamino]methyl]cyclopropyl]ethanol
CID 114750364
2-[4-(3-methylbutoxy)phenyl]ethanamine
CID 16786544
1-(3-methylbutoxy)-4-[4-(2-methylpropyl)phenyl]benzene
CID 169289853
N-(cyclohexylmethyl)-4-(3-methylbutoxy)aniline
CID 54799314
2-[4-(3-methylbutoxy)phenoxy]-N-propan-2-ylacetamide
CID 4732908
[4-[4-(3-methylbutoxy)phenyl]phenyl]methanamine
CID 43174546
4-(3-methylbutoxy)benzenesulfonyl fluoride
CID 165461294

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene?
The IUPAC name of 1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene (CID 168996646) is 1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene.
What is the SMILES notation for 1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene?
The canonical SMILES for 1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene is CC(C)CCOc1ccc(SC2(C)CCC2)cc1.
What is the InChIKey of 1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene?
The InChIKey is ACUVGYPHPIGXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OS/c1-13(2)9-12-17-14-5-7-15(8-6-14)18-16(3)10-4-11-16/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of 1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene?
1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene has a molecular weight of 264.43 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutoxy)-4-(1-methylcyclobutyl)sulfanylbenzene is sourced from PubChem (CID 168996646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).