2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane

C13H16Cl2O3 — CID 113438848

IUPAC2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane
SMILESCOc1cc(Cl)cc(CCl)c1OCC1CCCO1
InChIInChI=1S/C13H16Cl2O3/c1-16-12-6-10(15)5-9(7-14)13(12)18-8-11-3-2-4-17-11/h5-6,11H,2-4,7-8H2,1H3
InChIKeyHHOFDEBMYGWAKW-UHFFFAOYSA-N
MW291.17 g/mol
LogP3.65
Rot. Bonds5

About 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane

2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane (PubChem CID 113438848) has the molecular formula C13H16Cl2O3 and a molecular weight of 291.17 g/mol. Its IUPAC name is 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane.

Molecular Properties

Compound Name2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane
PubChem CID113438848
Molecular FormulaC13H16Cl2O3
Molecular Weight291.17 g/mol
Exact Mass290.05
IUPAC Name2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane
SMILESCOc1cc(Cl)cc(CCl)c1OCC1CCCO1
InChIInChI=1S/C13H16Cl2O3/c1-16-12-6-10(15)5-9(7-14)13(12)18-8-11-3-2-4-17-11/h5-6,11H,2-4,7-8H2,1H3
InChIKeyHHOFDEBMYGWAKW-UHFFFAOYSA-N
XLogP3.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.17
LogP ≤ 53.65
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

(E)-3-[5-chloro-3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enoic acid
CID 104666607
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51988305
2-[[2-bromo-4-(chloromethyl)-6-methoxyphenoxy]methyl]oxane
CID 43622743
2-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60904754
[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]methanol
CID 43471574
N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43515830
3-methoxy-4-(oxolan-2-ylmethoxy)-5-prop-2-enylbenzaldehyde
CID 54849592
1-[3,5-dimethoxy-4-(oxolan-2-ylmethoxy)phenyl]propan-2-amine
CID 60906720
2-[[2-(bromomethyl)-4,6-dichlorophenoxy]methyl]oxane
CID 43592015
3-bromo-5-methoxy-4-(oxolan-2-ylmethoxy)benzoic acid
CID 43622570
2-[3-methoxy-2-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 60905797
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane
CID 65162793

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane?
The IUPAC name of 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane (CID 113438848) is 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane.
What is the SMILES notation for 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane?
The canonical SMILES for 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane is COc1cc(Cl)cc(CCl)c1OCC1CCCO1.
What is the InChIKey of 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane?
The InChIKey is HHOFDEBMYGWAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2O3/c1-16-12-6-10(15)5-9(7-14)13(12)18-8-11-3-2-4-17-11/h5-6,11H,2-4,7-8H2,1H3.
What are the key properties of 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane?
2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane has a molecular weight of 291.17 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]oxolane is sourced from PubChem (CID 113438848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).