1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol

C13H22O2S — CID 105087659

IUPAC1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1ccc(CC)s1
InChIInChI=1S/C13H22O2S/c1-3-8-15-9-7-11(14)10-13-6-5-12(4-2)16-13/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyFGRUEYRFAIXYNI-UHFFFAOYSA-N
MW242.38 g/mol
LogP3.03
Rot. Bonds8

About 1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol

1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol (PubChem CID 105087659) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol
PubChem CID105087659
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol
SMILESCCCOCCC(O)Cc1ccc(CC)s1
InChIInChI=1S/C13H22O2S/c1-3-8-15-9-7-11(14)10-13-6-5-12(4-2)16-13/h5-6,11,14H,3-4,7-10H2,1-2H3
InChIKeyFGRUEYRFAIXYNI-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.03
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

[1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-yl]hydrazine
CID 105296397
1-phenyl-4-propoxybutan-2-ol
CID 105076516
2-ethyl-5-(propoxymethyl)thiophene
CID 54508933
1-(5-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-ol
CID 102927721
1-(5-ethylthiophen-2-yl)-4-pyridin-4-ylbutan-2-ol
CID 105087600
N-ethyl-1-(5-ethylthiophen-2-yl)-3-propoxypropan-2-amine
CID 55094003
1-(4-propan-2-ylphenyl)-4-propoxybutan-2-ol
CID 105089027
1-(5-ethylthiophen-2-yl)-3-pyridin-4-ylpropan-2-ol
CID 62608280
2,5-diethylthiophene
CID 521294
4-propoxy-1-pyridin-3-ylbutan-2-ol
CID 105125026
1-ethoxy-4-propoxybutan-2-ol
CID 105111761
4-(2,2-difluoroethoxy)-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
CID 103149430

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol (CID 105087659) is 1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol is CCCOCCC(O)Cc1ccc(CC)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol?
The InChIKey is FGRUEYRFAIXYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c1-3-8-15-9-7-11(14)10-13-6-5-12(4-2)16-13/h5-6,11,14H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol?
1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol has a molecular weight of 242.38 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-4-propoxybutan-2-ol is sourced from PubChem (CID 105087659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).