2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene

C14H14BrClS — CID 81111630

IUPAC2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene
SMILESCCc1ccc(C(Cl)c2cc(C)ccc2Br)s1
InChIInChI=1S/C14H14BrClS/c1-3-10-5-7-13(17-10)14(16)11-8-9(2)4-6-12(11)15/h4-8,14H,3H2,1-2H3
InChIKeyHWZIMARENJPMJP-UHFFFAOYSA-N
MW329.69 g/mol
LogP5.71
Rot. Bonds3

About 2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene

2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene (PubChem CID 81111630) has the molecular formula C14H14BrClS and a molecular weight of 329.69 g/mol. Its IUPAC name is 2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene
PubChem CID81111630
Molecular FormulaC14H14BrClS
Molecular Weight329.69 g/mol
Exact Mass327.97
IUPAC Name2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene
SMILESCCc1ccc(C(Cl)c2cc(C)ccc2Br)s1
InChIInChI=1S/C14H14BrClS/c1-3-10-5-7-13(17-10)14(16)11-8-9(2)4-6-12(11)15/h4-8,14H,3H2,1-2H3
InChIKeyHWZIMARENJPMJP-UHFFFAOYSA-N
XLogP5.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.69
LogP ≤ 55.71
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-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene
CID 63431036
2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene
CID 81324476
2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene
CID 63430917
2-[(3-bromo-2,4,6-trimethylphenyl)-chloromethyl]-5-ethylthiophene
CID 114249314
2-[bromo-(2-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 106862993
2-[chloro-(5-chloro-2-fluorophenyl)methyl]-5-ethylthiophene
CID 63430815
5-bromo-3-[(2-bromo-5-methylphenyl)-chloromethyl]-2-methylthiophene
CID 81116910
2-[(3-bromophenyl)-chloromethyl]-5-ethylthiophene
CID 63431228
1-bromo-4-[(2-bromo-5-methylphenyl)-chloromethyl]-2,5-dimethylbenzene
CID 81112789
(5-bromo-2,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 90394992
1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 113319625
1-bromo-2-[(4-butan-2-ylphenyl)-chloromethyl]-4-methylbenzene
CID 81112235

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene?
The IUPAC name of 2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene (CID 81111630) is 2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene.
What is the SMILES notation for 2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene?
The canonical SMILES for 2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene is CCc1ccc(C(Cl)c2cc(C)ccc2Br)s1.
What is the InChIKey of 2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene?
The InChIKey is HWZIMARENJPMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClS/c1-3-10-5-7-13(17-10)14(16)11-8-9(2)4-6-12(11)15/h4-8,14H,3H2,1-2H3.
What are the key properties of 2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene?
2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene has a molecular weight of 329.69 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene is sourced from PubChem (CID 81111630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).