2-hexyl-5-(4-methoxyphenyl)thiophene

C17H22OS — CID 70491963

IUPAC2-hexyl-5-(4-methoxyphenyl)thiophene
SMILESCCCCCCc1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H22OS/c1-3-4-5-6-7-16-12-13-17(19-16)14-8-10-15(18-2)11-9-14/h8-13H,3-7H2,1-2H3
InChIKeyNLUNWDKQAMYHTK-UHFFFAOYSA-N
MW274.43 g/mol
LogP5.55
Rot. Bonds7

About 2-hexyl-5-(4-methoxyphenyl)thiophene

2-hexyl-5-(4-methoxyphenyl)thiophene (PubChem CID 70491963) has the molecular formula C17H22OS and a molecular weight of 274.43 g/mol. Its IUPAC name is 2-hexyl-5-(4-methoxyphenyl)thiophene.

Molecular Properties

Compound Name2-hexyl-5-(4-methoxyphenyl)thiophene
PubChem CID70491963
Molecular FormulaC17H22OS
Molecular Weight274.43 g/mol
Exact Mass274.14
IUPAC Name2-hexyl-5-(4-methoxyphenyl)thiophene
SMILESCCCCCCc1ccc(-c2ccc(OC)cc2)s1
InChIInChI=1S/C17H22OS/c1-3-4-5-6-7-16-12-13-17(19-16)14-8-10-15(18-2)11-9-14/h8-13H,3-7H2,1-2H3
InChIKeyNLUNWDKQAMYHTK-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hexyl-5-(4-methoxyphenyl)thiophene 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

2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
2-hexyl-5-[5-[5-[4-[4-[5-[5-(5-hexylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]phenoxy]phenyl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 59288478
2-ethyl-5-(4-methoxyphenyl)thiophene
CID 21064460
2-hexyl-5-[6-(5-hexylthiophen-2-yl)anthracen-2-yl]thiophene
CID 59695623
2-dodecyl-5-[5-[5-[5-[5-(5-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746397
2-[4-[(E)-pent-2-enoxy]phenyl]-5-pentylthiophene
CID 23432248
2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene
CID 129157025
2-hexyl-5-[5-[5-[5-[5-[4-[2-(4-methylphenyl)ethenyl]phenyl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 72567089
5,8-dibromo-2,3-bis[4-(5-octylthiophen-2-yl)phenyl]quinoxaline
CID 141341816
[4-(5-octylthiophen-2-yl)phenyl] (2E,4E)-hexa-2,4-dienoate
CID 101164553
2-chloro-3-hexyl-5-(4-methoxyphenyl)thiophene
CID 102205396
2,5-diheptylthiophene
CID 607114

Frequently Asked Questions

What is the IUPAC name of 2-hexyl-5-(4-methoxyphenyl)thiophene?
The IUPAC name of 2-hexyl-5-(4-methoxyphenyl)thiophene (CID 70491963) is 2-hexyl-5-(4-methoxyphenyl)thiophene.
What is the SMILES notation for 2-hexyl-5-(4-methoxyphenyl)thiophene?
The canonical SMILES for 2-hexyl-5-(4-methoxyphenyl)thiophene is CCCCCCc1ccc(-c2ccc(OC)cc2)s1.
What is the InChIKey of 2-hexyl-5-(4-methoxyphenyl)thiophene?
The InChIKey is NLUNWDKQAMYHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22OS/c1-3-4-5-6-7-16-12-13-17(19-16)14-8-10-15(18-2)11-9-14/h8-13H,3-7H2,1-2H3.
What are the key properties of 2-hexyl-5-(4-methoxyphenyl)thiophene?
2-hexyl-5-(4-methoxyphenyl)thiophene has a molecular weight of 274.43 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyl-5-(4-methoxyphenyl)thiophene is sourced from PubChem (CID 70491963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).