2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane

C14H19ClO3 — CID 65162791

IUPAC2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane
SMILESCOc1cc(CCl)ccc1OCCC1CCCO1
InChIInChI=1S/C14H19ClO3/c1-16-14-9-11(10-15)4-5-13(14)18-8-6-12-3-2-7-17-12/h4-5,9,12H,2-3,6-8,10H2,1H3
InChIKeyJCRSLVQYAPUQGJ-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.38
Rot. Bonds6

About 2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane

2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane (PubChem CID 65162791) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane.

Molecular Properties

Compound Name2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane
PubChem CID65162791
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane
SMILESCOc1cc(CCl)ccc1OCCC1CCCO1
InChIInChI=1S/C14H19ClO3/c1-16-14-9-11(10-15)4-5-13(14)18-8-6-12-3-2-7-17-12/h4-5,9,12H,2-3,6-8,10H2,1H3
InChIKeyJCRSLVQYAPUQGJ-UHFFFAOYSA-N
XLogP3.38
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.38
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

N-[[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]methyl]ethanamine
CID 65158637
2-[2-[2-chloro-4-(chloromethyl)-6-methoxyphenoxy]ethyl]oxolane
CID 65162793
1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 65159021
3-methoxy-4-[3-(oxolan-2-yl)propoxy]benzenecarbothioamide
CID 65160952
[5-methoxy-2-[2-(oxolan-2-yl)ethoxy]phenyl]methanol
CID 65163081
(1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
CID 65162787
N-[(3,4-dimethoxyphenyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163453
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-2-one
CID 65155375
2-[2-[4-(bromomethyl)-2-fluorophenoxy]ethyl]oxolane
CID 107691831
2-[3-[4-(bromomethyl)-2-ethoxyphenoxy]propyl]oxolane
CID 65163140
N-[[3-methoxy-4-(2-phenylethoxy)phenyl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 7458340
2-[2-(2-bromo-4-methylphenoxy)ethyl]oxolane
CID 65161378

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane?
The IUPAC name of 2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane (CID 65162791) is 2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane.
What is the SMILES notation for 2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane?
The canonical SMILES for 2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane is COc1cc(CCl)ccc1OCCC1CCCO1.
What is the InChIKey of 2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane?
The InChIKey is JCRSLVQYAPUQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-16-14-9-11(10-15)4-5-13(14)18-8-6-12-3-2-7-17-12/h4-5,9,12H,2-3,6-8,10H2,1H3.
What are the key properties of 2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane?
2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane has a molecular weight of 270.76 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(chloromethyl)-2-methoxyphenoxy]ethyl]oxolane is sourced from PubChem (CID 65162791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).