2-[(4-chlorophenyl)methoxy]oxane

C12H15ClO2 — CID 11831137

IUPAC2-[(4-chlorophenyl)methoxy]oxane
SMILESClc1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C12H15ClO2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9H2
InChIKeyCSDZQRFKJZGPII-UHFFFAOYSA-N
MW226.70 g/mol
LogP3.38
Rot. Bonds3

About 2-[(4-chlorophenyl)methoxy]oxane

2-[(4-chlorophenyl)methoxy]oxane (PubChem CID 11831137) has the molecular formula C12H15ClO2 and a molecular weight of 226.70 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]oxane
PubChem CID11831137
Molecular FormulaC12H15ClO2
Molecular Weight226.70 g/mol
Exact Mass226.08
IUPAC Name2-[(4-chlorophenyl)methoxy]oxane
SMILESClc1ccc(COC2CCCCO2)cc1
InChIInChI=1S/C12H15ClO2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9H2
InChIKeyCSDZQRFKJZGPII-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]oxane?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]oxane (CID 11831137) is 2-[(4-chlorophenyl)methoxy]oxane.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]oxane?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]oxane is Clc1ccc(COC2CCCCO2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]oxane?
The InChIKey is CSDZQRFKJZGPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h4-7,12H,1-3,8-9H2.
What are the key properties of 2-[(4-chlorophenyl)methoxy]oxane?
2-[(4-chlorophenyl)methoxy]oxane has a molecular weight of 226.70 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]oxane is sourced from PubChem (CID 11831137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).