2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane

C13H17ClO2 — CID 173259383

IUPAC2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane
SMILESC[C@@H](OC1CCCCO1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClO2/c1-10(11-5-4-6-12(14)9-11)16-13-7-2-3-8-15-13/h4-6,9-10,13H,2-3,7-8H2,1H3/t10-,13?/m1/s1
InChIKeyPGMBXRVNULHYLG-VUUHIHSGSA-N
MW240.73 g/mol
LogP3.94
Rot. Bonds3

About 2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane

2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane (PubChem CID 173259383) has the molecular formula C13H17ClO2 and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane.

Molecular Properties

Compound Name2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane
PubChem CID173259383
Molecular FormulaC13H17ClO2
Molecular Weight240.73 g/mol
Exact Mass240.09
IUPAC Name2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane
SMILESC[C@@H](OC1CCCCO1)c1cccc(Cl)c1
InChIInChI=1S/C13H17ClO2/c1-10(11-5-4-6-12(14)9-11)16-13-7-2-3-8-15-13/h4-6,9-10,13H,2-3,7-8H2,1H3/t10-,13?/m1/s1
InChIKeyPGMBXRVNULHYLG-VUUHIHSGSA-N
XLogP3.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane?
The IUPAC name of 2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane (CID 173259383) is 2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane.
What is the SMILES notation for 2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane?
The canonical SMILES for 2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane is C[C@@H](OC1CCCCO1)c1cccc(Cl)c1.
What is the InChIKey of 2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane?
The InChIKey is PGMBXRVNULHYLG-VUUHIHSGSA-N. The full InChI is InChI=1S/C13H17ClO2/c1-10(11-5-4-6-12(14)9-11)16-13-7-2-3-8-15-13/h4-6,9-10,13H,2-3,7-8H2,1H3/t10-,13?/m1/s1.
What are the key properties of 2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane?
2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane has a molecular weight of 240.73 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-chlorophenyl)ethoxy]oxane is sourced from PubChem (CID 173259383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).