ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate

C15H24O3S — CID 67485458

IUPACethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(CCCCCCCCO)s1
InChIInChI=1S/C15H24O3S/c1-2-18-15(17)14-11-10-13(19-14)9-7-5-3-4-6-8-12-16/h10-11,16H,2-9,12H2,1H3
InChIKeyOVCCAWGAYYTVOV-UHFFFAOYSA-N
MW284.42 g/mol
LogP3.80
Rot. Bonds10

About ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate

ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate (PubChem CID 67485458) has the molecular formula C15H24O3S and a molecular weight of 284.42 g/mol. Its IUPAC name is ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate
PubChem CID67485458
Molecular FormulaC15H24O3S
Molecular Weight284.42 g/mol
Exact Mass284.14
IUPAC Nameethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate
SMILESCCOC(=O)c1ccc(CCCCCCCCO)s1
InChIInChI=1S/C15H24O3S/c1-2-18-15(17)14-11-10-13(19-14)9-7-5-3-4-6-8-12-16/h10-11,16H,2-9,12H2,1H3
InChIKeyOVCCAWGAYYTVOV-UHFFFAOYSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-hexylthiophene-2-carboxylate
CID 142697334
ethyl 5-(5-hydroxy-4-methylpentyl)thiophene-2-carboxylate
CID 67485049
3-hydroxypropyl 5-propylthiophene-2-carboxylate
CID 139420847
2-(5-ethoxycarbonylthiophen-2-yl)ethanethioic S-acid
CID 57468309
(5-ethoxycarbonylthiophen-2-yl)methanesulfinic acid
CID 174550421
(5-ethoxycarbonylthiophen-2-yl)methylphosphonic acid
CID 22992397
ethyl 5-hydrazinylthiophene-2-carboxylate;hydrochloride
CID 14219735
(5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium
CID 70003605
methyl 5-(2-hydroxyethyl)thiophene-2-carboxylate
CID 10845237
ethyl 8-[5-(8-methoxy-8-oxooctyl)thiophen-2-yl]-8-oxooctanoate
CID 10670033
ethyl 5-(3-diethoxyphosphoryl-3,3-dimethoxypropyl)thiophene-2-carboxylate
CID 57000724
butyl 5-(bromomethyl)thiophene-2-carboxylate
CID 90291128

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate?
The IUPAC name of ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate (CID 67485458) is ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate.
What is the SMILES notation for ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate?
The canonical SMILES for ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate is CCOC(=O)c1ccc(CCCCCCCCO)s1.
What is the InChIKey of ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate?
The InChIKey is OVCCAWGAYYTVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3S/c1-2-18-15(17)14-11-10-13(19-14)9-7-5-3-4-6-8-12-16/h10-11,16H,2-9,12H2,1H3.
What are the key properties of ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate?
ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate has a molecular weight of 284.42 g/mol, XLogP of 3.80, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(8-hydroxyoctyl)thiophene-2-carboxylate is sourced from PubChem (CID 67485458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).