1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol

C14H16O2S2 — CID 155719025

IUPAC1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol
SMILESCc1ccc(OCC(O)CSc2ccsc2)cc1
InChIInChI=1S/C14H16O2S2/c1-11-2-4-13(5-3-11)16-8-12(15)9-18-14-6-7-17-10-14/h2-7,10,12,15H,8-9H2,1H3
InChIKeyHKGOJCOJKOLUKK-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.59
Rot. Bonds6

About 1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol

1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol (PubChem CID 155719025) has the molecular formula C14H16O2S2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol
PubChem CID155719025
Molecular FormulaC14H16O2S2
Molecular Weight280.41 g/mol
Exact Mass280.06
IUPAC Name1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol
SMILESCc1ccc(OCC(O)CSc2ccsc2)cc1
InChIInChI=1S/C14H16O2S2/c1-11-2-4-13(5-3-11)16-8-12(15)9-18-14-6-7-17-10-14/h2-7,10,12,15H,8-9H2,1H3
InChIKeyHKGOJCOJKOLUKK-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-chlorophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 35672224
2-(4-methylphenyl)sulfanyl-1-thiophen-3-ylethanol
CID 66065568
1-(3-aminophenoxy)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 62268494
1-[4-[4-(2-hydroxy-3-phenylsulfanylpropoxy)phenoxy]phenoxy]-3-phenylsulfanylpropan-2-ol
CID 23389679
1-[3-methyl-4-[(4-methyl-1,3-dioxetan-2-yl)methoxy]phenyl]sulfanyl-3-(4-methylphenoxy)propan-2-ol
CID 70836912
4-[2-hydroxy-3-(3-methylphenyl)sulfanylpropoxy]benzonitrile
CID 60593980
1-(4-ethoxyphenoxy)-3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propan-2-ol
CID 75858434
1-[(5-methyl-2-pyridinyl)sulfanyl]-3-phenoxypropan-2-ol
CID 110897911
2-[[1-[4-(3-methylbutan-2-yl)phenoxy]-3-thiophen-3-ylsulfanylpropan-2-yl]oxymethyl]oxirane
CID 156746904
4-[3-(3,4-dimethoxyphenoxy)-2-hydroxypropyl]sulfanylphenol
CID 19981837
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol (CID 155719025) is 1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol is Cc1ccc(OCC(O)CSc2ccsc2)cc1.
What is the InChIKey of 1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol?
The InChIKey is HKGOJCOJKOLUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S2/c1-11-2-4-13(5-3-11)16-8-12(15)9-18-14-6-7-17-10-14/h2-7,10,12,15H,8-9H2,1H3.
What are the key properties of 1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol?
1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol has a molecular weight of 280.41 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenoxy)-3-thiophen-3-ylsulfanylpropan-2-ol is sourced from PubChem (CID 155719025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).