2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene

C12H9Cl3OS — CID 43141982

IUPAC2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
SMILESClCc1cc(Cl)ccc1OCc1ccc(Cl)s1
InChIInChI=1S/C12H9Cl3OS/c13-6-8-5-9(14)1-3-11(8)16-7-10-2-4-12(15)17-10/h1-5H,6-7H2
InChIKeyWRVCYOZZSBNTGH-UHFFFAOYSA-N
MW307.63 g/mol
LogP5.37
Rot. Bonds4

About 2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene

2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene (PubChem CID 43141982) has the molecular formula C12H9Cl3OS and a molecular weight of 307.63 g/mol. Its IUPAC name is 2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene.

Molecular Properties

Compound Name2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
PubChem CID43141982
Molecular FormulaC12H9Cl3OS
Molecular Weight307.63 g/mol
Exact Mass305.94
IUPAC Name2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene
SMILESClCc1cc(Cl)ccc1OCc1ccc(Cl)s1
InChIInChI=1S/C12H9Cl3OS/c13-6-8-5-9(14)1-3-11(8)16-7-10-2-4-12(15)17-10/h1-5H,6-7H2
InChIKeyWRVCYOZZSBNTGH-UHFFFAOYSA-N
XLogP5.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.63
LogP ≤ 55.37
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

1-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60882194
4-chloro-2-[(5-chlorothiophen-2-yl)methoxy]benzoic acid
CID 60673887
[2-[(5-bromothiophen-2-yl)methoxy]-5-chlorophenyl]methanol
CID 43141922
2-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62699009
4-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 43141959
(E)-3-[5-chloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]prop-2-enoic acid
CID 43142028
[2-[(5-chlorothiophen-2-yl)methoxy]-5-methoxyphenyl]methanamine
CID 60878324
4,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]aniline
CID 107498892
N-[[5-bromo-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 63485288
2-bromo-5-[[2-(chloromethyl)-4-methoxyphenoxy]methyl]thiophene
CID 43268075
3-[[4-chloro-2-(chloromethyl)phenoxy]methyl]pyridine
CID 39869127
3-[(5-chlorothiophen-2-yl)methoxy]pyridin-2-amine
CID 43125741

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene?
The IUPAC name of 2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene (CID 43141982) is 2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene.
What is the SMILES notation for 2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene?
The canonical SMILES for 2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene is ClCc1cc(Cl)ccc1OCc1ccc(Cl)s1.
What is the InChIKey of 2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene?
The InChIKey is WRVCYOZZSBNTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl3OS/c13-6-8-5-9(14)1-3-11(8)16-7-10-2-4-12(15)17-10/h1-5H,6-7H2.
What are the key properties of 2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene?
2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene has a molecular weight of 307.63 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]thiophene is sourced from PubChem (CID 43141982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).