2-[(4-bromo-2-ethylphenyl)methoxy]oxane

C14H19BrO2 — CID 86762394

IUPAC2-[(4-bromo-2-ethylphenyl)methoxy]oxane
SMILESCCc1cc(Br)ccc1COC1CCCCO1
InChIInChI=1S/C14H19BrO2/c1-2-11-9-13(15)7-6-12(11)10-17-14-5-3-4-8-16-14/h6-7,9,14H,2-5,8,10H2,1H3
InChIKeyXNIZQRAJMSMCMK-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.05
Rot. Bonds4

About 2-[(4-bromo-2-ethylphenyl)methoxy]oxane

2-[(4-bromo-2-ethylphenyl)methoxy]oxane (PubChem CID 86762394) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[(4-bromo-2-ethylphenyl)methoxy]oxane.

Molecular Properties

Compound Name2-[(4-bromo-2-ethylphenyl)methoxy]oxane
PubChem CID86762394
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name2-[(4-bromo-2-ethylphenyl)methoxy]oxane
SMILESCCc1cc(Br)ccc1COC1CCCCO1
InChIInChI=1S/C14H19BrO2/c1-2-11-9-13(15)7-6-12(11)10-17-14-5-3-4-8-16-14/h6-7,9,14H,2-5,8,10H2,1H3
InChIKeyXNIZQRAJMSMCMK-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-ethylphenyl)methoxy]oxane?
The IUPAC name of 2-[(4-bromo-2-ethylphenyl)methoxy]oxane (CID 86762394) is 2-[(4-bromo-2-ethylphenyl)methoxy]oxane.
What is the SMILES notation for 2-[(4-bromo-2-ethylphenyl)methoxy]oxane?
The canonical SMILES for 2-[(4-bromo-2-ethylphenyl)methoxy]oxane is CCc1cc(Br)ccc1COC1CCCCO1.
What is the InChIKey of 2-[(4-bromo-2-ethylphenyl)methoxy]oxane?
The InChIKey is XNIZQRAJMSMCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-2-11-9-13(15)7-6-12(11)10-17-14-5-3-4-8-16-14/h6-7,9,14H,2-5,8,10H2,1H3.
What are the key properties of 2-[(4-bromo-2-ethylphenyl)methoxy]oxane?
2-[(4-bromo-2-ethylphenyl)methoxy]oxane has a molecular weight of 299.21 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-ethylphenyl)methoxy]oxane is sourced from PubChem (CID 86762394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).