2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane

C16H24O3S — CID 112815270

IUPAC2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane
SMILESCCCOc1ccc(OCCSCC2CCCO2)cc1
InChIInChI=1S/C16H24O3S/c1-2-9-17-14-5-7-15(8-6-14)19-11-12-20-13-16-4-3-10-18-16/h5-8,16H,2-4,9-13H2,1H3
InChIKeyFKLOHFOYFWBGII-UHFFFAOYSA-N
MW296.43 g/mol
LogP3.77
Rot. Bonds9

About 2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane

2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane (PubChem CID 112815270) has the molecular formula C16H24O3S and a molecular weight of 296.43 g/mol. Its IUPAC name is 2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane.

Molecular Properties

Compound Name2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane
PubChem CID112815270
Molecular FormulaC16H24O3S
Molecular Weight296.43 g/mol
Exact Mass296.14
IUPAC Name2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane
SMILESCCCOc1ccc(OCCSCC2CCCO2)cc1
InChIInChI=1S/C16H24O3S/c1-2-9-17-14-5-7-15(8-6-14)19-11-12-20-13-16-4-3-10-18-16/h5-8,16H,2-4,9-13H2,1H3
InChIKeyFKLOHFOYFWBGII-UHFFFAOYSA-N
XLogP3.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[2-(oxolan-2-ylmethylsulfanyl)ethoxy]phenyl]boronic acid
CID 106495379
[2-[2-(oxolan-2-ylmethylsulfanyl)ethoxy]phenyl]methanamine
CID 106495037
3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 65162391
2-(oxolan-2-ylmethylamino)-1-(4-propoxyphenyl)ethanol
CID 82314086
N-(oxolan-2-ylmethyl)-N'-(4-propoxyphenyl)oxamide
CID 2926686
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
2-(oxolan-2-ylmethylamino)-2-(4-propoxyphenyl)acetamide
CID 62497281
4-oxo-N-(oxolan-2-ylmethyl)-4-(4-propoxyphenyl)butanamide
CID 78774490
3-ethoxy-N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 106495895
[2-[2-(oxolan-2-yl)ethoxy]-4-propoxyphenyl]methanol
CID 65163131
2-[2-(4-bromophenoxy)ethyl]oxolane
CID 65161274
2-[3-(4-tert-butylphenoxy)propyl]oxolane
CID 65170270

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane?
The IUPAC name of 2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane (CID 112815270) is 2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane.
What is the SMILES notation for 2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane?
The canonical SMILES for 2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane is CCCOc1ccc(OCCSCC2CCCO2)cc1.
What is the InChIKey of 2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane?
The InChIKey is FKLOHFOYFWBGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3S/c1-2-9-17-14-5-7-15(8-6-14)19-11-12-20-13-16-4-3-10-18-16/h5-8,16H,2-4,9-13H2,1H3.
What are the key properties of 2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane?
2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane has a molecular weight of 296.43 g/mol, XLogP of 3.77, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-propoxyphenoxy)ethylsulfanylmethyl]oxolane is sourced from PubChem (CID 112815270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).