2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene

C14H14Cl2O2S — CID 63776256

IUPAC2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene
SMILESCOc1cc(CCl)cc(Cl)c1OCCc1cccs1
InChIInChI=1S/C14H14Cl2O2S/c1-17-13-8-10(9-15)7-12(16)14(13)18-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,9H2,1H3
InChIKeyGHFWZJSXWIRUIX-UHFFFAOYSA-N
MW317.24 g/mol
LogP4.77
Rot. Bonds6

About 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene

2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene (PubChem CID 63776256) has the molecular formula C14H14Cl2O2S and a molecular weight of 317.24 g/mol. Its IUPAC name is 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene.

Molecular Properties

Compound Name2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene
PubChem CID63776256
Molecular FormulaC14H14Cl2O2S
Molecular Weight317.24 g/mol
Exact Mass316.01
IUPAC Name2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene
SMILESCOc1cc(CCl)cc(Cl)c1OCCc1cccs1
InChIInChI=1S/C14H14Cl2O2S/c1-17-13-8-10(9-15)7-12(16)14(13)18-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,9H2,1H3
InChIKeyGHFWZJSXWIRUIX-UHFFFAOYSA-N
XLogP4.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.24
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]-N-methylmethanamine;hydrochloride
CID 17290121
[3-bromo-5-methoxy-4-(2-thiophen-2-ylethoxy)phenyl]methanamine
CID 63776382
N-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 4715962
3,5-dichloro-4-(2-thiophen-2-ylethoxy)phenol
CID 18504596
2-chloro-5-[[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]methyl]thiophene
CID 28898512
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
4-[2-[4-(chloromethyl)-2,6-dimethoxyphenoxy]ethyl]pyridine
CID 60891318
5-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]pentanenitrile
CID 54966217
(2S)-1-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methylamino]propan-2-ol
CID 7248523
4-(chloromethyl)-2-propyl-6-(2-thiophen-2-ylethoxy)pyridine
CID 113380852
1-chloro-5-(chloromethyl)-3-methoxy-2-[(4-methoxyphenyl)methoxy]benzene
CID 28898530
N'-[[3-chloro-5-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-methylpropane-1,3-diamine;dihydrochloride
CID 17333153

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene?
The IUPAC name of 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene (CID 63776256) is 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene.
What is the SMILES notation for 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene?
The canonical SMILES for 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene is COc1cc(CCl)cc(Cl)c1OCCc1cccs1.
What is the InChIKey of 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene?
The InChIKey is GHFWZJSXWIRUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O2S/c1-17-13-8-10(9-15)7-12(16)14(13)18-5-4-11-3-2-6-19-11/h2-3,6-8H,4-5,9H2,1H3.
What are the key properties of 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene?
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene has a molecular weight of 317.24 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]thiophene is sourced from PubChem (CID 63776256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).