1-(3-thiophen-2-ylpropoxy)propan-1-ol

C10H16O2S — CID 173329415

IUPAC1-(3-thiophen-2-ylpropoxy)propan-1-ol
SMILESCCC(O)OCCCc1cccs1
InChIInChI=1S/C10H16O2S/c1-2-10(11)12-7-3-5-9-6-4-8-13-9/h4,6,8,10-11H,2-3,5,7H2,1H3
InChIKeyUHFUQQYUBBSEHN-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.43
Rot. Bonds6

About 1-(3-thiophen-2-ylpropoxy)propan-1-ol

1-(3-thiophen-2-ylpropoxy)propan-1-ol (PubChem CID 173329415) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 1-(3-thiophen-2-ylpropoxy)propan-1-ol.

Molecular Properties

Compound Name1-(3-thiophen-2-ylpropoxy)propan-1-ol
PubChem CID173329415
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name1-(3-thiophen-2-ylpropoxy)propan-1-ol
SMILESCCC(O)OCCCc1cccs1
InChIInChI=1S/C10H16O2S/c1-2-10(11)12-7-3-5-9-6-4-8-13-9/h4,6,8,10-11H,2-3,5,7H2,1H3
InChIKeyUHFUQQYUBBSEHN-UHFFFAOYSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8-thiophen-2-yloctan-4-ol
CID 64516293
6-ethyl-1-thiophen-2-yloctan-4-ol
CID 105122585
4-ethyl-1-thiophen-2-ylhexan-3-ol
CID 65148531
2-methyl-6-thiophen-2-ylhexan-3-ol
CID 63774630
2-butylthiophene;methanamine
CID 143080300
ethane;2-pentylthiophene
CID 143883800
2-(8-methoxyoctyl)thiophene
CID 139537837
3-thiophen-2-ylpropan-1-ol
CID 13109866
7-thiophen-2-ylheptan-3-amine
CID 64505571
2-(5-pentoxypentyl)thiophene
CID 91586139
(2R)-2-(2-thiophen-2-ylethoxy)propanoic acid
CID 104875253
methane;2-undecylthiophene
CID 175504380

Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-2-ylpropoxy)propan-1-ol?
The IUPAC name of 1-(3-thiophen-2-ylpropoxy)propan-1-ol (CID 173329415) is 1-(3-thiophen-2-ylpropoxy)propan-1-ol.
What is the SMILES notation for 1-(3-thiophen-2-ylpropoxy)propan-1-ol?
The canonical SMILES for 1-(3-thiophen-2-ylpropoxy)propan-1-ol is CCC(O)OCCCc1cccs1.
What is the InChIKey of 1-(3-thiophen-2-ylpropoxy)propan-1-ol?
The InChIKey is UHFUQQYUBBSEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-2-10(11)12-7-3-5-9-6-4-8-13-9/h4,6,8,10-11H,2-3,5,7H2,1H3.
What are the key properties of 1-(3-thiophen-2-ylpropoxy)propan-1-ol?
1-(3-thiophen-2-ylpropoxy)propan-1-ol has a molecular weight of 200.30 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-2-ylpropoxy)propan-1-ol is sourced from PubChem (CID 173329415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).