2-(2-chloro-4-phenylbutyl)thiophene

C14H15ClS — CID 63519028

IUPAC2-(2-chloro-4-phenylbutyl)thiophene
SMILESClC(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C14H15ClS/c15-13(11-14-7-4-10-16-14)9-8-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2
InChIKeyZZAIMDGVJJKIMN-UHFFFAOYSA-N
MW250.79 g/mol
LogP4.53
Rot. Bonds5

About 2-(2-chloro-4-phenylbutyl)thiophene

2-(2-chloro-4-phenylbutyl)thiophene (PubChem CID 63519028) has the molecular formula C14H15ClS and a molecular weight of 250.79 g/mol. Its IUPAC name is 2-(2-chloro-4-phenylbutyl)thiophene.

Molecular Properties

Compound Name2-(2-chloro-4-phenylbutyl)thiophene
PubChem CID63519028
Molecular FormulaC14H15ClS
Molecular Weight250.79 g/mol
Exact Mass250.06
IUPAC Name2-(2-chloro-4-phenylbutyl)thiophene
SMILESClC(CCc1ccccc1)Cc1cccs1
InChIInChI=1S/C14H15ClS/c15-13(11-14-7-4-10-16-14)9-8-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2
InChIKeyZZAIMDGVJJKIMN-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.79
LogP ≤ 54.53
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-[2-chloro-4-(4-methylphenyl)butyl]thiophene
CID 55223117
[(3R)-3,4-dichlorobutyl]benzene
CID 129394752
2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene
CID 63543569
N-methyl-1-phenyl-6-thiophen-2-ylhexan-3-amine
CID 105094221
4-phenyl-1-thiophen-2-ylbutan-2-one
CID 61054077
1-bromo-3-(2-chloro-4-phenylbutyl)benzene
CID 55222563
(2S)-2-amino-N-[(1S)-1-cyano-3-phenylpropyl]-3-thiophen-2-ylpropanamide
CID 46883428
1-N-methyl-4-phenyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 114929524
4-oxo-7-phenyl-2-(thiophen-2-ylmethyl)heptanal
CID 166527319
(2S)-2-amino-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 104983787
2-benzyl-N-methyl-4-thiophen-2-ylbutan-1-amine
CID 63775568
N-methyl-6-phenyl-1-thiophen-2-ylhexan-3-amine
CID 105150151

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-phenylbutyl)thiophene?
The IUPAC name of 2-(2-chloro-4-phenylbutyl)thiophene (CID 63519028) is 2-(2-chloro-4-phenylbutyl)thiophene.
What is the SMILES notation for 2-(2-chloro-4-phenylbutyl)thiophene?
The canonical SMILES for 2-(2-chloro-4-phenylbutyl)thiophene is ClC(CCc1ccccc1)Cc1cccs1.
What is the InChIKey of 2-(2-chloro-4-phenylbutyl)thiophene?
The InChIKey is ZZAIMDGVJJKIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClS/c15-13(11-14-7-4-10-16-14)9-8-12-5-2-1-3-6-12/h1-7,10,13H,8-9,11H2.
What are the key properties of 2-(2-chloro-4-phenylbutyl)thiophene?
2-(2-chloro-4-phenylbutyl)thiophene has a molecular weight of 250.79 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-phenylbutyl)thiophene is sourced from PubChem (CID 63519028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).