3-[2-(chloromethyl)phenoxy]oxane

C12H15ClO2 — CID 107135119

IUPAC3-[2-(chloromethyl)phenoxy]oxane
SMILESClCc1ccccc1OC1CCCOC1
InChIInChI=1S/C12H15ClO2/c13-8-10-4-1-2-6-12(10)15-11-5-3-7-14-9-11/h1-2,4,6,11H,3,5,7-9H2
InChIKeyGEWBDAYUJKGEAE-UHFFFAOYSA-N
MW226.70 g/mol
LogP2.98
Rot. Bonds3

About 3-[2-(chloromethyl)phenoxy]oxane

3-[2-(chloromethyl)phenoxy]oxane (PubChem CID 107135119) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 3-[2-(chloromethyl)phenoxy]oxane.

Molecular Properties

Compound Name3-[2-(chloromethyl)phenoxy]oxane
PubChem CID107135119
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name3-[2-(chloromethyl)phenoxy]oxane
SMILESClCc1ccccc1OC1CCCOC1
InChIInChI=1S/C12H15ClO2/c13-8-10-4-1-2-6-12(10)15-11-5-3-7-14-9-11/h1-2,4,6,11H,3,5,7-9H2
InChIKeyGEWBDAYUJKGEAE-UHFFFAOYSA-N
XLogP2.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.70
LogP ≤ 52.98
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

3-[2-(oxan-3-yloxy)phenyl]propanal
CID 117340444
1-[[2-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117374038
3-naphthalen-1-yloxyoxane
CID 107137916
N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63558326
1-[[2-(oxan-3-yloxy)phenyl]methyl]piperazine
CID 117443013
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
CID 107135067
(E)-3-[2-(oxan-3-yloxy)phenyl]prop-2-en-1-amine
CID 117338381
2-methyl-3-(oxan-3-yloxy)phenol
CID 107135241
2-amino-3-(oxan-3-yloxy)phenol
CID 107134115
1-[5-fluoro-2-(oxan-3-yloxy)phenyl]-N-methylmethanamine
CID 107695044

Frequently Asked Questions

What is the IUPAC name of 3-[2-(chloromethyl)phenoxy]oxane?
The IUPAC name of 3-[2-(chloromethyl)phenoxy]oxane (CID 107135119) is 3-[2-(chloromethyl)phenoxy]oxane.
What is the SMILES notation for 3-[2-(chloromethyl)phenoxy]oxane?
The canonical SMILES for 3-[2-(chloromethyl)phenoxy]oxane is ClCc1ccccc1OC1CCCOC1.
What is the InChIKey of 3-[2-(chloromethyl)phenoxy]oxane?
The InChIKey is GEWBDAYUJKGEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c13-8-10-4-1-2-6-12(10)15-11-5-3-7-14-9-11/h1-2,4,6,11H,3,5,7-9H2.
What are the key properties of 3-[2-(chloromethyl)phenoxy]oxane?
3-[2-(chloromethyl)phenoxy]oxane has a molecular weight of 226.70 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(chloromethyl)phenoxy]oxane is sourced from PubChem (CID 107135119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).