4-hexyl-2-(4-methylphenyl)thiophene

C17H22S — CID 102312853

IUPAC4-hexyl-2-(4-methylphenyl)thiophene
SMILESCCCCCCc1csc(-c2ccc(C)cc2)c1
InChIInChI=1S/C17H22S/c1-3-4-5-6-7-15-12-17(18-13-15)16-10-8-14(2)9-11-16/h8-13H,3-7H2,1-2H3
InChIKeyNVLQSMCVQJNAPR-UHFFFAOYSA-N
MW258.43 g/mol
LogP5.85
Rot. Bonds6

About 4-hexyl-2-(4-methylphenyl)thiophene

4-hexyl-2-(4-methylphenyl)thiophene (PubChem CID 102312853) has the molecular formula C17H22S and a molecular weight of 258.43 g/mol. Its IUPAC name is 4-hexyl-2-(4-methylphenyl)thiophene.

Molecular Properties

Compound Name4-hexyl-2-(4-methylphenyl)thiophene
PubChem CID102312853
Molecular FormulaC17H22S
Molecular Weight258.43 g/mol
Exact Mass258.14
IUPAC Name4-hexyl-2-(4-methylphenyl)thiophene
SMILESCCCCCCc1csc(-c2ccc(C)cc2)c1
InChIInChI=1S/C17H22S/c1-3-4-5-6-7-15-12-17(18-13-15)16-10-8-14(2)9-11-16/h8-13H,3-7H2,1-2H3
InChIKeyNVLQSMCVQJNAPR-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-nonyl-2-(4-nonylthiophen-2-yl)thiophene
CID 139119009
2-(4-methylphenyl)-5-(4-octylphenyl)thieno[3,2-b]thiophene
CID 130318443
4-hexyl-2-[4-(4-hexylthiophen-2-yl)-2,5-dimethylphenyl]thiophene
CID 101038762
1-methyl-4-octylbenzene
CID 11052746
4-(4-hexylthiophen-2-yl)-N-[4-[5-[4-[4-(4-hexylthiophen-2-yl)-N-[4-(4-hexylthiophen-2-yl)phenyl]anilino]phenyl]-[1,3]thiazolo[5,4-d][1,3]thiazol-2-yl]phenyl]-N-[4-(4-hexylthiophen-2-yl)phenyl]aniline
CID 122391801
2-[9,9-dihexyl-7-(4-hexylthiophen-2-yl)fluoren-2-yl]-4-hexylthiophene
CID 68700338
2-(4-octylthiophen-2-yl)-[1]benzothiolo[3,2-b][1]benzothiole
CID 90049087
1-hexyl-4-(4-methylphenyl)sulfanylbenzene
CID 143882001
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
2-bromo-5-(4-octylphenyl)thiophene
CID 59439546
1-hexyl-4-methylbenzene;toluene
CID 173071388
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-(4-methylphenyl)thiophene?
The IUPAC name of 4-hexyl-2-(4-methylphenyl)thiophene (CID 102312853) is 4-hexyl-2-(4-methylphenyl)thiophene.
What is the SMILES notation for 4-hexyl-2-(4-methylphenyl)thiophene?
The canonical SMILES for 4-hexyl-2-(4-methylphenyl)thiophene is CCCCCCc1csc(-c2ccc(C)cc2)c1.
What is the InChIKey of 4-hexyl-2-(4-methylphenyl)thiophene?
The InChIKey is NVLQSMCVQJNAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22S/c1-3-4-5-6-7-15-12-17(18-13-15)16-10-8-14(2)9-11-16/h8-13H,3-7H2,1-2H3.
What are the key properties of 4-hexyl-2-(4-methylphenyl)thiophene?
4-hexyl-2-(4-methylphenyl)thiophene has a molecular weight of 258.43 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-(4-methylphenyl)thiophene is sourced from PubChem (CID 102312853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).