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

C14H18Cl2O2 — CID 116522368

IUPAC5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(COc2ccc(Cl)cc2CCl)O1
InChIInChI=1S/C14H18Cl2O2/c1-14(2)6-5-12(18-14)9-17-13-4-3-11(16)7-10(13)8-15/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKeyJJGZMBYGFZEKTF-UHFFFAOYSA-N
MW289.20 g/mol
LogP4.42
Rot. Bonds4

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

5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane (PubChem CID 116522368) has the molecular formula C14H18Cl2O2 and a molecular weight of 289.20 g/mol. Its IUPAC name is 5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane.

Molecular Properties

Compound Name5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
PubChem CID116522368
Molecular FormulaC14H18Cl2O2
Molecular Weight289.20 g/mol
Exact Mass288.07
IUPAC Name5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane
SMILESCC1(C)CCC(COc2ccc(Cl)cc2CCl)O1
InChIInChI=1S/C14H18Cl2O2/c1-14(2)6-5-12(18-14)9-17-13-4-3-11(16)7-10(13)8-15/h3-4,7,12H,5-6,8-9H2,1-2H3
InChIKeyJJGZMBYGFZEKTF-UHFFFAOYSA-N
XLogP4.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 54.42
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-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanamine
CID 116520800
5-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522351
5-[[2-(chloromethyl)-5-propoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522374
2-(chloromethyl)-3-[(5,5-dimethyloxolan-2-yl)methoxy]-6-methylpyridine
CID 116522398
2-[2-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]ethanol
CID 107713050
5-[[1-(chloromethyl)naphthalen-2-yl]oxymethyl]-2,2-dimethyloxolane
CID 116522378
5-[[2-(bromomethyl)-4-methoxyphenoxy]methyl]-2,2-dimethyloxolane
CID 116522372
2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-methylaniline
CID 116520626
[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]-trifluoroboranuide
CID 116522457
[2-chloro-6-[(5,5-dimethyloxolan-2-yl)methoxy]phenyl]methanamine
CID 116520606
N-[[2-[(5,5-dimethyloxolan-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695869
2,2-dimethyl-5-(naphthalen-1-yloxymethyl)oxolane
CID 116524402

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane?
The IUPAC name of 5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane (CID 116522368) is 5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane.
What is the SMILES notation for 5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane?
The canonical SMILES for 5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane is CC1(C)CCC(COc2ccc(Cl)cc2CCl)O1.
What is the InChIKey of 5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane?
The InChIKey is JJGZMBYGFZEKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O2/c1-14(2)6-5-12(18-14)9-17-13-4-3-11(16)7-10(13)8-15/h3-4,7,12H,5-6,8-9H2,1-2H3.
What are the key properties of 5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane?
5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane has a molecular weight of 289.20 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-2-(chloromethyl)phenoxy]methyl]-2,2-dimethyloxolane is sourced from PubChem (CID 116522368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).