2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane

C13H17ClO2 — CID 103135320

IUPAC2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane
SMILESCC1CCC(COc2cccc(CCl)c2)O1
InChIInChI=1S/C13H17ClO2/c1-10-5-6-13(16-10)9-15-12-4-2-3-11(7-12)8-14/h2-4,7,10,13H,5-6,8-9H2,1H3
InChIKeyBTECXJLYSANYTA-UHFFFAOYSA-N
MW240.73 g/mol
LogP3.37
Rot. Bonds4

About 2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane

2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane (PubChem CID 103135320) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane.

Molecular Properties

Compound Name2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane
PubChem CID103135320
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane
SMILESCC1CCC(COc2cccc(CCl)c2)O1
InChIInChI=1S/C13H17ClO2/c1-10-5-6-13(16-10)9-15-12-4-2-3-11(7-12)8-14/h2-4,7,10,13H,5-6,8-9H2,1H3
InChIKeyBTECXJLYSANYTA-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.37
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

(1S)-1-[3-[(5-methyloxolan-2-yl)methoxy]phenyl]ethanol
CID 103135165
3-[(5-methyloxolan-2-yl)methoxy]pyridine
CID 103141074
2-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-5-methyloxolane
CID 103135384
[2-chloro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]methanamine
CID 103132539
2-chloro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134259
(1R)-5-[(5-methyloxolan-2-yl)methoxy]-2,3-dihydro-1H-inden-1-ol
CID 114091323
2-bromo-5-[(5-methyloxolan-2-yl)methoxy]benzaldehyde
CID 103134514
2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103143092
2-methyl-5-[(2-methylphenoxy)methyl]oxolane
CID 103141002
2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane
CID 123988638
potassium trifluoro-[2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]phenyl]boranuide
CID 103135581
2-[3-[[3-[(2R,5R)-5-methyloxolan-2-yl]propanoylamino]methyl]phenoxy]acetic acid
CID 125131693

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane?
The IUPAC name of 2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane (CID 103135320) is 2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane.
What is the SMILES notation for 2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane?
The canonical SMILES for 2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane is CC1CCC(COc2cccc(CCl)c2)O1.
What is the InChIKey of 2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane?
The InChIKey is BTECXJLYSANYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-10-5-6-13(16-10)9-15-12-4-2-3-11(7-12)8-14/h2-4,7,10,13H,5-6,8-9H2,1H3.
What are the key properties of 2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane?
2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane has a molecular weight of 240.73 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(chloromethyl)phenoxy]methyl]-5-methyloxolane is sourced from PubChem (CID 103135320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).