[3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene

C24H34O2S — CID 151891928

IUPAC[3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene
SMILESCCC(C)C(CSCC(Oc1ccccc1)C(C)CC)Oc1ccccc1
InChIInChI=1S/C24H34O2S/c1-5-19(3)23(25-21-13-9-7-10-14-21)17-27-18-24(20(4)6-2)26-22-15-11-8-12-16-22/h7-16,19-20,23-24H,5-6,17-18H2,1-4H3
InChIKeySQXJXIZTRUTAHJ-UHFFFAOYSA-N
MW386.60 g/mol
LogP6.71
Rot. Bonds12

About [3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene

[3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene (PubChem CID 151891928) has the molecular formula C24H34O2S and a molecular weight of 386.60 g/mol. Its IUPAC name is [3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene.

Molecular Properties

Compound Name[3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene
PubChem CID151891928
Molecular FormulaC24H34O2S
Molecular Weight386.60 g/mol
Exact Mass386.23
IUPAC Name[3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene
SMILESCCC(C)C(CSCC(Oc1ccccc1)C(C)CC)Oc1ccccc1
InChIInChI=1S/C24H34O2S/c1-5-19(3)23(25-21-13-9-7-10-14-21)17-27-18-24(20(4)6-2)26-22-15-11-8-12-16-22/h7-16,19-20,23-24H,5-6,17-18H2,1-4H3
InChIKeySQXJXIZTRUTAHJ-UHFFFAOYSA-N
XLogP6.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.60
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-1-phenylbutan-1-amine
CID 43211594
3-methyl-2-phenoxypentanamide
CID 173059765
2-methyl-4-phenoxypentane-1,3,5-triol
CID 146305712
3-methylhexan-2-yloxybenzene
CID 150585965
ethyl 1-phenoxyethyl carbonate
CID 173360681
3-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62454475
1-phenoxypropane-1,2-diol
CID 22140567
diethyl(1-phenoxypropoxy)alumane
CID 139905359
1-phenoxybutane-1,2-diol
CID 19866542
[(2R,3R)-3-deuteriopentan-2-yl]oxybenzene
CID 25240077
N-(2-phenoxypropyl)butan-2-amine
CID 54802133
[(1R)-1-fluoroethoxy]benzene
CID 175733278

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene?
The IUPAC name of [3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene (CID 151891928) is [3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene.
What is the SMILES notation for [3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene?
The canonical SMILES for [3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene is CCC(C)C(CSCC(Oc1ccccc1)C(C)CC)Oc1ccccc1.
What is the InChIKey of [3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene?
The InChIKey is SQXJXIZTRUTAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2S/c1-5-19(3)23(25-21-13-9-7-10-14-21)17-27-18-24(20(4)6-2)26-22-15-11-8-12-16-22/h7-16,19-20,23-24H,5-6,17-18H2,1-4H3.
What are the key properties of [3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene?
[3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene has a molecular weight of 386.60 g/mol, XLogP of 6.71, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3-methyl-2-phenoxypentyl)sulfanylpentan-2-yl]oxybenzene is sourced from PubChem (CID 151891928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).