2-hexylthiophen-3-ol

C10H16OS — CID 175348347

IUPAC2-hexylthiophen-3-ol
SMILESCCCCCCc1sccc1O
InChIInChI=1S/C10H16OS/c1-2-3-4-5-6-10-9(11)7-8-12-10/h7-8,11H,2-6H2,1H3
InChIKeyMFNQFWSFDCGCTD-UHFFFAOYSA-N
MW184.30 g/mol
LogP3.58
Rot. Bonds5

About 2-hexylthiophen-3-ol

2-hexylthiophen-3-ol (PubChem CID 175348347) has the molecular formula C10H16OS and a molecular weight of 184.30 g/mol. Its IUPAC name is 2-hexylthiophen-3-ol.

Molecular Properties

Compound Name2-hexylthiophen-3-ol
PubChem CID175348347
Molecular FormulaC10H16OS
Molecular Weight184.30 g/mol
Exact Mass184.09
IUPAC Name2-hexylthiophen-3-ol
SMILESCCCCCCc1sccc1O
InChIInChI=1S/C10H16OS/c1-2-3-4-5-6-10-9(11)7-8-12-10/h7-8,11H,2-6H2,1H3
InChIKeyMFNQFWSFDCGCTD-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-didodecylthiophene
CID 66897470
2-hexyl-3-methylthiophene
CID 69043695
2-tetradecylthiophene-3-carboxylic acid
CID 67293637
3-ethyl-2-hexylthiophene;N-methylmethanamine
CID 142603185
2,3-dihexylbenzene-1,4-diol
CID 69329716
2-(2-methoxyethyl)thiophen-3-ol
CID 57007261
3-(2-hexylthiophen-3-yl)prop-2-enal
CID 173172239
3-undecyl-2-[(E)-2-(3-undecylthiophen-2-yl)ethenyl]thiophene
CID 141420064
2-ethyl-3-octadecoxythiophene
CID 91523496
2-ethenyl-3-tetradecylthiophene
CID 150440528
3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
2-dodecylphenol
CID 160834917

Frequently Asked Questions

What is the IUPAC name of 2-hexylthiophen-3-ol?
The IUPAC name of 2-hexylthiophen-3-ol (CID 175348347) is 2-hexylthiophen-3-ol.
What is the SMILES notation for 2-hexylthiophen-3-ol?
The canonical SMILES for 2-hexylthiophen-3-ol is CCCCCCc1sccc1O.
What is the InChIKey of 2-hexylthiophen-3-ol?
The InChIKey is MFNQFWSFDCGCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS/c1-2-3-4-5-6-10-9(11)7-8-12-10/h7-8,11H,2-6H2,1H3.
What are the key properties of 2-hexylthiophen-3-ol?
2-hexylthiophen-3-ol has a molecular weight of 184.30 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylthiophen-3-ol is sourced from PubChem (CID 175348347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).