4-phenoxy-1-thiophen-2-ylbutan-1-ol

C14H16O2S — CID 114990149

IUPAC4-phenoxy-1-thiophen-2-ylbutan-1-ol
SMILESOC(CCCOc1ccccc1)c1cccs1
InChIInChI=1S/C14H16O2S/c15-13(14-9-5-11-17-14)8-4-10-16-12-6-2-1-3-7-12/h1-3,5-7,9,11,13,15H,4,8,10H2
InChIKeyREDYFBMBAARBRY-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.64
Rot. Bonds6

About 4-phenoxy-1-thiophen-2-ylbutan-1-ol

4-phenoxy-1-thiophen-2-ylbutan-1-ol (PubChem CID 114990149) has the molecular formula C14H16O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 4-phenoxy-1-thiophen-2-ylbutan-1-ol.

Molecular Properties

Compound Name4-phenoxy-1-thiophen-2-ylbutan-1-ol
PubChem CID114990149
Molecular FormulaC14H16O2S
Molecular Weight248.35 g/mol
Exact Mass248.09
IUPAC Name4-phenoxy-1-thiophen-2-ylbutan-1-ol
SMILESOC(CCCOc1ccccc1)c1cccs1
InChIInChI=1S/C14H16O2S/c15-13(14-9-5-11-17-14)8-4-10-16-12-6-2-1-3-7-12/h1-3,5-7,9,11,13,15H,4,8,10H2
InChIKeyREDYFBMBAARBRY-UHFFFAOYSA-N
XLogP3.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenoxy)-1-thiophen-2-ylpropan-1-ol
CID 154630453
(3-phenoxy-1-thiophen-2-ylpropyl)hydrazine
CID 105191394
(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 94830631
6-phenoxyhexane-1,3-diol
CID 71343394
1,5-diphenoxypentan-3-ol
CID 5314309
2-(4-fluorophenoxy)-1-thiophen-2-ylethanol
CID 117240196
N-methyl-2-phenoxy-1-thiophen-2-ylethanamine
CID 62715336
3-phenoxy-N-(1-thiophen-2-ylethyl)propanamide
CID 110733991
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631
(1R)-3-(benzenesulfonyl)-1-thiophen-2-ylpropan-1-ol
CID 94830635
1-(thionin-2-yl)nonane-1,4-diol
CID 175393813
4-methyl-7-phenoxyheptan-3-ol
CID 63562397

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-thiophen-2-ylbutan-1-ol?
The IUPAC name of 4-phenoxy-1-thiophen-2-ylbutan-1-ol (CID 114990149) is 4-phenoxy-1-thiophen-2-ylbutan-1-ol.
What is the SMILES notation for 4-phenoxy-1-thiophen-2-ylbutan-1-ol?
The canonical SMILES for 4-phenoxy-1-thiophen-2-ylbutan-1-ol is OC(CCCOc1ccccc1)c1cccs1.
What is the InChIKey of 4-phenoxy-1-thiophen-2-ylbutan-1-ol?
The InChIKey is REDYFBMBAARBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2S/c15-13(14-9-5-11-17-14)8-4-10-16-12-6-2-1-3-7-12/h1-3,5-7,9,11,13,15H,4,8,10H2.
What are the key properties of 4-phenoxy-1-thiophen-2-ylbutan-1-ol?
4-phenoxy-1-thiophen-2-ylbutan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-thiophen-2-ylbutan-1-ol is sourced from PubChem (CID 114990149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).