1-thiophen-3-yltetradecan-2-ol

C18H32OS — CID 105090220

IUPAC1-thiophen-3-yltetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)Cc1ccsc1
InChIInChI=1S/C18H32OS/c1-2-3-4-5-6-7-8-9-10-11-12-18(19)15-17-13-14-20-16-17/h13-14,16,18-19H,2-12,15H2,1H3
InChIKeyUVASCZHJBJLTAU-UHFFFAOYSA-N
MW296.52 g/mol
LogP5.96
Rot. Bonds13

About 1-thiophen-3-yltetradecan-2-ol

1-thiophen-3-yltetradecan-2-ol (PubChem CID 105090220) has the molecular formula C18H32OS and a molecular weight of 296.52 g/mol. Its IUPAC name is 1-thiophen-3-yltetradecan-2-ol.

Molecular Properties

Compound Name1-thiophen-3-yltetradecan-2-ol
PubChem CID105090220
Molecular FormulaC18H32OS
Molecular Weight296.52 g/mol
Exact Mass296.22
IUPAC Name1-thiophen-3-yltetradecan-2-ol
SMILESCCCCCCCCCCCCC(O)Cc1ccsc1
InChIInChI=1S/C18H32OS/c1-2-3-4-5-6-7-8-9-10-11-12-18(19)15-17-13-14-20-16-17/h13-14,16,18-19H,2-12,15H2,1H3
InChIKeyUVASCZHJBJLTAU-UHFFFAOYSA-N
XLogP5.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.52
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hexyldecyl)thiophene
CID 67456553
1-thiophen-3-ylundecan-2-amine
CID 65427688
1-thiophen-3-ylheptan-2-amine
CID 61077742
3-(2-bromotridecyl)thiophene
CID 65428156
3-(2-bromoicosyl)thiophene
CID 89438780
3-(2,3-dimethyloctyl)thiophene
CID 22501098
(2S,5S)-1-phenylpentadecane-2,5-diol
CID 98091747
4-methoxy-1-thiophen-3-ylbutan-2-ol
CID 62606552
N-(1-thiophen-3-ylpropan-2-yl)heptan-2-amine
CID 61473529
5-(2-hydroxyheptadecyl)benzene-1,3-diol
CID 15775325
1-(4-methylphenyl)octan-2-ol
CID 62607878
1-thiophen-3-ylnonan-3-amine
CID 115857036

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yltetradecan-2-ol?
The IUPAC name of 1-thiophen-3-yltetradecan-2-ol (CID 105090220) is 1-thiophen-3-yltetradecan-2-ol.
What is the SMILES notation for 1-thiophen-3-yltetradecan-2-ol?
The canonical SMILES for 1-thiophen-3-yltetradecan-2-ol is CCCCCCCCCCCCC(O)Cc1ccsc1.
What is the InChIKey of 1-thiophen-3-yltetradecan-2-ol?
The InChIKey is UVASCZHJBJLTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32OS/c1-2-3-4-5-6-7-8-9-10-11-12-18(19)15-17-13-14-20-16-17/h13-14,16,18-19H,2-12,15H2,1H3.
What are the key properties of 1-thiophen-3-yltetradecan-2-ol?
1-thiophen-3-yltetradecan-2-ol has a molecular weight of 296.52 g/mol, XLogP of 5.96, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yltetradecan-2-ol is sourced from PubChem (CID 105090220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).