2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene

C17H21ClS — CID 63544769

IUPAC2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene
SMILESCc1ccc(C)c(CC(Cl)CCCc2cccs2)c1
InChIInChI=1S/C17H21ClS/c1-13-8-9-14(2)15(11-13)12-16(18)5-3-6-17-7-4-10-19-17/h4,7-11,16H,3,5-6,12H2,1-2H3
InChIKeyBLABJLMFZNHIKH-UHFFFAOYSA-N
MW292.88 g/mol
LogP5.54
Rot. Bonds6

About 2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene

2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene (PubChem CID 63544769) has the molecular formula C17H21ClS and a molecular weight of 292.88 g/mol. Its IUPAC name is 2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene.

Molecular Properties

Compound Name2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene
PubChem CID63544769
Molecular FormulaC17H21ClS
Molecular Weight292.88 g/mol
Exact Mass292.11
IUPAC Name2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene
SMILESCc1ccc(C)c(CC(Cl)CCCc2cccs2)c1
InChIInChI=1S/C17H21ClS/c1-13-8-9-14(2)15(11-13)12-16(18)5-3-6-17-7-4-10-19-17/h4,7-11,16H,3,5-6,12H2,1-2H3
InChIKeyBLABJLMFZNHIKH-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.88
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene
CID 63543569
1-(2,5-dimethylphenyl)-5-thiophen-2-ylpentan-2-one
CID 62538353
1-(2,5-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-2-amine
CID 115860977
2-(2,5-dimethylphenyl)-1-thiophen-2-ylethanol
CID 61481652
2-[2-chloro-4-(4-methylphenyl)butyl]thiophene
CID 55223117
2-(2,5-dimethylphenyl)-N-(thiophen-2-ylmethyl)ethanamine
CID 62538017
1-(2,4-dimethylphenyl)-N-propyl-4-thiophen-2-ylbutan-1-amine
CID 105145207
1-(2-fluoro-5-methylphenyl)-4-thiophen-2-ylbutan-1-ol
CID 105094222
N-methyl-1-(2-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 61065069
1-(5-fluoro-2-methylphenyl)-4-thiophen-2-ylbutan-1-amine
CID 105142448
2-[4-(4-methylphenyl)butyl]thiophene
CID 10585578
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 63528646

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene?
The IUPAC name of 2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene (CID 63544769) is 2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene.
What is the SMILES notation for 2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene?
The canonical SMILES for 2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene is Cc1ccc(C)c(CC(Cl)CCCc2cccs2)c1.
What is the InChIKey of 2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene?
The InChIKey is BLABJLMFZNHIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClS/c1-13-8-9-14(2)15(11-13)12-16(18)5-3-6-17-7-4-10-19-17/h4,7-11,16H,3,5-6,12H2,1-2H3.
What are the key properties of 2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene?
2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene has a molecular weight of 292.88 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-(2,5-dimethylphenyl)pentyl]thiophene is sourced from PubChem (CID 63544769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).