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

C15H17ClOS — CID 65238549

IUPAC5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene
SMILESCOc1ccc(C)cc1C(Cl)c1cc(C)c(C)s1
InChIInChI=1S/C15H17ClOS/c1-9-5-6-13(17-4)12(7-9)15(16)14-8-10(2)11(3)18-14/h5-8,15H,1-4H3
InChIKeyFQGJFYDJXPQZTN-UHFFFAOYSA-N
MW280.82 g/mol
LogP5.01
Rot. Bonds3

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

5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene (PubChem CID 65238549) has the molecular formula C15H17ClOS and a molecular weight of 280.82 g/mol. Its IUPAC name is 5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene.

Molecular Properties

Compound Name5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene
PubChem CID65238549
Molecular FormulaC15H17ClOS
Molecular Weight280.82 g/mol
Exact Mass280.07
IUPAC Name5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene
SMILESCOc1ccc(C)cc1C(Cl)c1cc(C)c(C)s1
InChIInChI=1S/C15H17ClOS/c1-9-5-6-13(17-4)12(7-9)15(16)14-8-10(2)11(3)18-14/h5-8,15H,1-4H3
InChIKeyFQGJFYDJXPQZTN-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.82
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(4,5-dimethylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methyl]propan-1-amine
CID 65237138
2-[chloro-(2-methoxy-5-methylphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879793
(5-chloro-4-methylthiophen-2-yl)-(2-methoxy-5-methylphenyl)methanamine
CID 102763414
2-[chloro-(5-chloro-2-methoxyphenyl)methyl]-5-methylthiophene
CID 63430566
1-(4,5-dimethylthiophen-2-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 115826649
2-[chloro-(2-methoxyphenyl)methyl]-1,4-dimethylbenzene
CID 55197746
2-[chloro-(2-methylsulfanylphenyl)methyl]-1-methoxy-4-methylbenzene
CID 79217079
N-[(4,5-dimethylthiophen-2-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 65246138
1-(4-bromo-5-methylthiophen-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 102827361
2-bromo-5-[chloro-(2,3,4-trimethoxyphenyl)methyl]-3-methylthiophene
CID 79999407
1-(5-bromo-2-methoxyphenyl)-1-(4,5-dimethylthiophen-2-yl)-N-methylmethanamine
CID 65237360
2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1,4-dimethylbenzene
CID 63434490

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene?
The IUPAC name of 5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene (CID 65238549) is 5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene.
What is the SMILES notation for 5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene?
The canonical SMILES for 5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene is COc1ccc(C)cc1C(Cl)c1cc(C)c(C)s1.
What is the InChIKey of 5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene?
The InChIKey is FQGJFYDJXPQZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClOS/c1-9-5-6-13(17-4)12(7-9)15(16)14-8-10(2)11(3)18-14/h5-8,15H,1-4H3.
What are the key properties of 5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene?
5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene has a molecular weight of 280.82 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2-methoxy-5-methylphenyl)methyl]-2,3-dimethylthiophene is sourced from PubChem (CID 65238549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).