2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene

C14H14Cl2OS — CID 102764766

IUPAC2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene
SMILESCOc1ccccc1CC(Cl)c1cc(C)c(Cl)s1
InChIInChI=1S/C14H14Cl2OS/c1-9-7-13(18-14(9)16)11(15)8-10-5-3-4-6-12(10)17-2/h3-7,11H,8H2,1-2H3
InChIKeyCPMFRXBYROOXSC-UHFFFAOYSA-N
MW301.24 g/mol
LogP5.24
Rot. Bonds4

About 2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene

2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene (PubChem CID 102764766) has the molecular formula C14H14Cl2OS and a molecular weight of 301.24 g/mol. Its IUPAC name is 2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene
PubChem CID102764766
Molecular FormulaC14H14Cl2OS
Molecular Weight301.24 g/mol
Exact Mass300.01
IUPAC Name2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene
SMILESCOc1ccccc1CC(Cl)c1cc(C)c(Cl)s1
InChIInChI=1S/C14H14Cl2OS/c1-9-7-13(18-14(9)16)11(15)8-10-5-3-4-6-12(10)17-2/h3-7,11H,8H2,1-2H3
InChIKeyCPMFRXBYROOXSC-UHFFFAOYSA-N
XLogP5.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.24
LogP ≤ 55.24
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

3-bromo-2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]thiophene
CID 102836398
2-chloro-5-[1-chloro-2-(2-chlorophenyl)ethyl]-3-methylthiophene
CID 102764734
5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
4-[1-chloro-2-(2-methoxyphenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63543003
5-[1-chloro-2-(2-chlorophenyl)ethyl]-2,3-dimethylthiophene
CID 65238571
4-chloro-1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63542835
1-[1-chloro-2-(2-methoxyphenyl)ethyl]-2,3-dimethylbenzene
CID 63542139
1-(5-bromo-4-methylthiophen-2-yl)-2-(2-methoxyphenyl)ethanamine
CID 79990281
3-chloro-4-(2-methoxyphenyl)butan-2-one
CID 82185002
3-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,5-dichlorothiophene
CID 63445258
1-bromo-2-[1-chloro-2-(2-methoxyphenyl)ethyl]benzene
CID 63543875
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole
CID 63017209

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene (CID 102764766) is 2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene is COc1ccccc1CC(Cl)c1cc(C)c(Cl)s1.
What is the InChIKey of 2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene?
The InChIKey is CPMFRXBYROOXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2OS/c1-9-7-13(18-14(9)16)11(15)8-10-5-3-4-6-12(10)17-2/h3-7,11H,8H2,1-2H3.
What are the key properties of 2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene?
2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene has a molecular weight of 301.24 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-chloro-2-(2-methoxyphenyl)ethyl]-3-methylthiophene is sourced from PubChem (CID 102764766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).