2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene

C14H14Cl2S — CID 63432524

IUPAC2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene
SMILESCCCc1ccc(C(Cl)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H14Cl2S/c1-2-3-10-4-6-11(7-5-10)14(16)12-8-9-13(15)17-12/h4-9,14H,2-3H2,1H3
InChIKeyORQBSDYTJRATQA-UHFFFAOYSA-N
MW285.24 g/mol
LogP5.68
Rot. Bonds4

About 2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene

2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene (PubChem CID 63432524) has the molecular formula C14H14Cl2S and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene
PubChem CID63432524
Molecular FormulaC14H14Cl2S
Molecular Weight285.24 g/mol
Exact Mass284.02
IUPAC Name2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene
SMILESCCCc1ccc(C(Cl)c2ccc(Cl)s2)cc1
InChIInChI=1S/C14H14Cl2S/c1-2-3-10-4-6-11(7-5-10)14(16)12-8-9-13(15)17-12/h4-9,14H,2-3H2,1H3
InChIKeyORQBSDYTJRATQA-UHFFFAOYSA-N
XLogP5.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.24
LogP ≤ 55.68
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

1-[chloro-(4-propan-2-ylphenyl)methyl]-4-propylbenzene
CID 63432561
2-bromo-5-[(4-butylphenyl)-chloromethyl]thiophene
CID 63431686
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(4-propylphenyl)ethanamine
CID 106041158
2-chloro-5-(1-chloropropyl)thiophene
CID 61086027
1-(1-chloropropyl)-4-propylbenzene
CID 63432383
(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 55136672
4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 55199662
1-bromo-3-chloro-5-[chloro-(4-propylphenyl)methyl]benzene
CID 107955938
2-chloro-5-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
CID 61086226
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenyl)ethanol
CID 65150022
1-bromo-4-chloro-2-[chloro-(4-propylphenyl)methyl]benzene
CID 114027818
2-[chloro-(4-propylphenyl)methyl]naphthalene
CID 63432067

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene?
The IUPAC name of 2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene (CID 63432524) is 2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene?
The canonical SMILES for 2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene is CCCc1ccc(C(Cl)c2ccc(Cl)s2)cc1.
What is the InChIKey of 2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene?
The InChIKey is ORQBSDYTJRATQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2S/c1-2-3-10-4-6-11(7-5-10)14(16)12-8-9-13(15)17-12/h4-9,14H,2-3H2,1H3.
What are the key properties of 2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene?
2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene has a molecular weight of 285.24 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(4-propylphenyl)methyl]thiophene is sourced from PubChem (CID 63432524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).