2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene

C14H14Cl2S — CID 81324476

IUPAC2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Cl)c2cc(C)cc(Cl)c2)s1
InChIInChI=1S/C14H14Cl2S/c1-3-12-4-5-13(17-12)14(16)10-6-9(2)7-11(15)8-10/h4-8,14H,3H2,1-2H3
InChIKeyKNHMDPLTOZWJLK-UHFFFAOYSA-N
MW285.24 g/mol
LogP5.60
Rot. Bonds3

About 2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene

2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene (PubChem CID 81324476) has the molecular formula C14H14Cl2S and a molecular weight of 285.24 g/mol. Its IUPAC name is 2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene
PubChem CID81324476
Molecular FormulaC14H14Cl2S
Molecular Weight285.24 g/mol
Exact Mass284.02
IUPAC Name2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Cl)c2cc(C)cc(Cl)c2)s1
InChIInChI=1S/C14H14Cl2S/c1-3-12-4-5-13(17-12)14(16)10-6-9(2)7-11(15)8-10/h4-8,14H,3H2,1-2H3
InChIKeyKNHMDPLTOZWJLK-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.24
LogP ≤ 55.60
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-[chloro-(3-chlorophenyl)methyl]-5-ethylthiophene
CID 63430949
2-[chloro-(5-chloro-2-fluorophenyl)methyl]-5-ethylthiophene
CID 63430815
2-[(2-bromo-5-methylphenyl)-chloromethyl]-5-ethylthiophene
CID 81111630
2-[chloro-(4-fluorophenyl)methyl]-5-ethylthiophene
CID 63431184
2-[(3-bromophenyl)-chloromethyl]-5-ethylthiophene
CID 63431228
N-[(3,5-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]ethanamine
CID 43488451
2-[(3-bromo-5-chloro-2-methoxyphenyl)-chloromethyl]-5-ethylthiophene
CID 63430917
2-bromo-5-[chloro-(5-ethylthiophen-2-yl)methyl]thiophene
CID 63431036
2-[chloro-(5-ethylthiophen-2-yl)methyl]-3-methylfuran
CID 61082558
2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 63439491
2-[(3-bromo-2,4,6-trimethylphenyl)-chloromethyl]-5-ethylthiophene
CID 114249314
(3-chloro-4-methylphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 55162371

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene?
The IUPAC name of 2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene (CID 81324476) is 2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene?
The canonical SMILES for 2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene is CCc1ccc(C(Cl)c2cc(C)cc(Cl)c2)s1.
What is the InChIKey of 2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene?
The InChIKey is KNHMDPLTOZWJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2S/c1-3-12-4-5-13(17-12)14(16)10-6-9(2)7-11(15)8-10/h4-8,14H,3H2,1-2H3.
What are the key properties of 2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene?
2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene has a molecular weight of 285.24 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(3-chloro-5-methylphenyl)methyl]-5-ethylthiophene is sourced from PubChem (CID 81324476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).