2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene

C16H19ClS — CID 63543569

IUPAC2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene
SMILESCc1cccc(CC(Cl)CCCc2cccs2)c1
InChIInChI=1S/C16H19ClS/c1-13-5-2-6-14(11-13)12-15(17)7-3-8-16-9-4-10-18-16/h2,4-6,9-11,15H,3,7-8,12H2,1H3
InChIKeyQIYBKHMSEGJWJR-UHFFFAOYSA-N
MW278.85 g/mol
LogP5.23
Rot. Bonds6

About 2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene

2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene (PubChem CID 63543569) has the molecular formula C16H19ClS and a molecular weight of 278.85 g/mol. Its IUPAC name is 2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene.

Molecular Properties

Compound Name2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene
PubChem CID63543569
Molecular FormulaC16H19ClS
Molecular Weight278.85 g/mol
Exact Mass278.09
IUPAC Name2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene
SMILESCc1cccc(CC(Cl)CCCc2cccs2)c1
InChIInChI=1S/C16H19ClS/c1-13-5-2-6-14(11-13)12-15(17)7-3-8-16-9-4-10-18-16/h2,4-6,9-11,15H,3,7-8,12H2,1H3
InChIKeyQIYBKHMSEGJWJR-UHFFFAOYSA-N
XLogP5.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.85
LogP ≤ 55.23
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-(2,5-dimethylphenyl)pentyl]thiophene
CID 63544769
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-2-amine
CID 63528646
1-(2-chlorobutyl)-3-methylbenzene
CID 63016853
2-[2-chloro-4-(4-methylphenyl)butyl]thiophene
CID 55223117
N-ethyl-1-(3-methylphenyl)-5-thiophen-2-ylpentan-3-amine
CID 105150411
N-methyl-2-[(3-methylphenyl)methyl]-3-thiophen-2-ylpropan-1-amine
CID 55082726
4-(3-methylphenyl)-N-(thiophen-2-ylmethyl)butan-2-amine
CID 61169939
2-(2-chloro-4-phenylbutyl)thiophene
CID 63519028
1-(3-methylphenyl)-3-thiophen-2-ylpropan-1-amine
CID 63774801
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 134017459
1-(3,4-dichlorophenyl)-N-methyl-5-thiophen-2-ylpentan-2-amine
CID 63527812
1-(3,4-dichlorophenyl)-5-thiophen-2-ylpentan-2-ol
CID 63520188

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene?
The IUPAC name of 2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene (CID 63543569) is 2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene.
What is the SMILES notation for 2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene?
The canonical SMILES for 2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene is Cc1cccc(CC(Cl)CCCc2cccs2)c1.
What is the InChIKey of 2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene?
The InChIKey is QIYBKHMSEGJWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClS/c1-13-5-2-6-14(11-13)12-15(17)7-3-8-16-9-4-10-18-16/h2,4-6,9-11,15H,3,7-8,12H2,1H3.
What are the key properties of 2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene?
2-[4-chloro-5-(3-methylphenyl)pentyl]thiophene has a molecular weight of 278.85 g/mol, XLogP of 5.23, 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-(3-methylphenyl)pentyl]thiophene is sourced from PubChem (CID 63543569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).