3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene

C12H10Cl2OS — CID 114320741

IUPAC3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
SMILESClCc1c(Cl)cccc1OCc1ccsc1
InChIInChI=1S/C12H10Cl2OS/c13-6-10-11(14)2-1-3-12(10)15-7-9-4-5-16-8-9/h1-5,8H,6-7H2
InChIKeyHZWZTWGSVLGJPM-UHFFFAOYSA-N
MW273.18 g/mol
LogP4.72
Rot. Bonds4

About 3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene

3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene (PubChem CID 114320741) has the molecular formula C12H10Cl2OS and a molecular weight of 273.18 g/mol. Its IUPAC name is 3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene.

Molecular Properties

Compound Name3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
PubChem CID114320741
Molecular FormulaC12H10Cl2OS
Molecular Weight273.18 g/mol
Exact Mass271.98
IUPAC Name3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
SMILESClCc1c(Cl)cccc1OCc1ccsc1
InChIInChI=1S/C12H10Cl2OS/c13-6-10-11(14)2-1-3-12(10)15-7-9-4-5-16-8-9/h1-5,8H,6-7H2
InChIKeyHZWZTWGSVLGJPM-UHFFFAOYSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.18
LogP ≤ 54.72
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

[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methanamine
CID 114318379
3-[[2-(bromomethyl)-3-chlorophenoxy]methyl]thiophene
CID 114320906
N-[[2-chloro-6-(thiophen-3-ylmethoxy)phenyl]methyl]ethanamine
CID 114318984
1-chloro-2-(chloromethyl)-3-[(4-nitrophenyl)methoxy]benzene
CID 114320815
3-bromo-5-[[3-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 104799200
1-chloro-2-(chloromethyl)-3-(2-chlorophenoxy)benzene
CID 28947164
1-[3-chloro-2-(thiophen-3-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608676
1-chloro-2-(chloromethyl)-3-(3-methylsulfonylpropoxy)benzene
CID 114320711
1-chloro-2-(chloromethyl)-3-(3,3-dimethylbutoxy)benzene
CID 114320774
3-(thiophen-3-ylmethoxy)pyridin-2-amine
CID 43646070
2-(thiophen-3-ylmethoxy)benzoic acid
CID 43646082
1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
CID 114320831

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene?
The IUPAC name of 3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene (CID 114320741) is 3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene.
What is the SMILES notation for 3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene?
The canonical SMILES for 3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene is ClCc1c(Cl)cccc1OCc1ccsc1.
What is the InChIKey of 3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene?
The InChIKey is HZWZTWGSVLGJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2OS/c13-6-10-11(14)2-1-3-12(10)15-7-9-4-5-16-8-9/h1-5,8H,6-7H2.
What are the key properties of 3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene?
3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene has a molecular weight of 273.18 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-2-(chloromethyl)phenoxy]methyl]thiophene is sourced from PubChem (CID 114320741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).