3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene

C13H12ClIS — CID 63432545

IUPAC3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Cl)c2ccccc2I)c(C)s1
InChIInChI=1S/C13H12ClIS/c1-8-7-11(9(2)16-8)13(14)10-5-3-4-6-12(10)15/h3-7,13H,1-2H3
InChIKeyWXVQBHMRRXIZDE-UHFFFAOYSA-N
MW362.66 g/mol
LogP5.30
Rot. Bonds2

About 3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene

3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene (PubChem CID 63432545) has the molecular formula C13H12ClIS and a molecular weight of 362.66 g/mol. Its IUPAC name is 3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene
PubChem CID63432545
Molecular FormulaC13H12ClIS
Molecular Weight362.66 g/mol
Exact Mass361.94
IUPAC Name3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene
SMILESCc1cc(C(Cl)c2ccccc2I)c(C)s1
InChIInChI=1S/C13H12ClIS/c1-8-7-11(9(2)16-8)13(14)10-5-3-4-6-12(10)15/h3-7,13H,1-2H3
InChIKeyWXVQBHMRRXIZDE-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.66
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[chloro(naphthalen-1-yl)methyl]-2,5-dimethylthiophene
CID 63431997
3-[chloro-[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylthiophene
CID 55199092
3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene
CID 61084593
3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene
CID 102836626
3-[(5-bromothiophen-2-yl)-chloromethyl]-2,5-dimethylthiophene
CID 63432587
3-chloro-2-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-4-methylthiophene
CID 103404581
3-[chloro-(3-chloro-4-methylphenyl)methyl]-2,5-dimethylthiophene
CID 63432141
1,4-dichloro-2-[chloro-(2-iodophenyl)methyl]benzene
CID 63436203
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene
CID 102884472
3-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,5-dimethylthiophene
CID 63432001
1-bromo-5-[chloro-(2-iodophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432597
2-bromo-5-[chloro-(2,5-dimethylthiophen-3-yl)methyl]-3-methylthiophene
CID 79997347

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene?
The IUPAC name of 3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene (CID 63432545) is 3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene.
What is the SMILES notation for 3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene?
The canonical SMILES for 3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene is Cc1cc(C(Cl)c2ccccc2I)c(C)s1.
What is the InChIKey of 3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene?
The InChIKey is WXVQBHMRRXIZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIS/c1-8-7-11(9(2)16-8)13(14)10-5-3-4-6-12(10)15/h3-7,13H,1-2H3.
What are the key properties of 3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene?
3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene has a molecular weight of 362.66 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene is sourced from PubChem (CID 63432545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).