1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol

C16H26O4S2 — CID 23389743

IUPAC1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol
SMILESCCSCC(O)COc1cccc(OCC(O)CSCC)c1
InChIInChI=1S/C16H26O4S2/c1-3-21-11-13(17)9-19-15-6-5-7-16(8-15)20-10-14(18)12-22-4-2/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3
InChIKeyJWIHFVKXTXRURT-UHFFFAOYSA-N
MW346.51 g/mol
LogP2.67
Rot. Bonds12

About 1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol

1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol (PubChem CID 23389743) has the molecular formula C16H26O4S2 and a molecular weight of 346.51 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol
PubChem CID23389743
Molecular FormulaC16H26O4S2
Molecular Weight346.51 g/mol
Exact Mass346.13
IUPAC Name1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol
SMILESCCSCC(O)COc1cccc(OCC(O)CSCC)c1
InChIInChI=1S/C16H26O4S2/c1-3-21-11-13(17)9-19-15-6-5-7-16(8-15)20-10-14(18)12-22-4-2/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3
InChIKeyJWIHFVKXTXRURT-UHFFFAOYSA-N
XLogP2.67
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-[3-[3-(2,3-dihydroxypropylsulfanyl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]sulfanylpropane-1,2-diol
CID 168796555
1-[3-[2-hydroxy-3-(2-methoxyethylsulfanyl)propoxy]phenoxy]-3-(2-methoxyethylsulfanyl)propan-2-ol
CID 23389602
1-(3-ethoxyphenoxy)-3-(ethylamino)propan-2-ol
CID 62338062
4-(3-ethoxyphenoxy)-3-hydroxybutanenitrile
CID 112507925
3-(2-hydroxy-3-phenoxypropyl)sulfanylpropane-1,2-diol
CID 10967176
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-(3-aminophenoxy)-3-(3-hydroxypropylsulfanyl)propan-2-ol
CID 66113610
1-(3-chlorophenoxy)pentan-2-ol
CID 105083098
1-(3-methoxyphenoxy)-3-pyridin-2-ylsulfanylpropan-2-ol
CID 43842271
1-iodo-3-(3-methoxyphenoxy)propan-2-ol
CID 86028408
1-(3-chlorophenoxy)-3-ethoxypropan-2-ol
CID 112555016
3-[3-[(1S)-1-hydroxyethyl]phenoxy]propane-1,2-diol
CID 82849501

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol?
The IUPAC name of 1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol (CID 23389743) is 1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol.
What is the SMILES notation for 1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol?
The canonical SMILES for 1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol is CCSCC(O)COc1cccc(OCC(O)CSCC)c1.
What is the InChIKey of 1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol?
The InChIKey is JWIHFVKXTXRURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4S2/c1-3-21-11-13(17)9-19-15-6-5-7-16(8-15)20-10-14(18)12-22-4-2/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol?
1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol has a molecular weight of 346.51 g/mol, XLogP of 2.67, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-[3-(3-ethylsulfanyl-2-hydroxypropoxy)phenoxy]propan-2-ol is sourced from PubChem (CID 23389743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).