2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane

C14H13BrO2 — CID 66334604

IUPAC2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane
SMILESCC1(COc2ccc3cc(Br)ccc3c2)CO1
InChIInChI=1S/C14H13BrO2/c1-14(9-17-14)8-16-13-5-3-10-6-12(15)4-2-11(10)7-13/h2-7H,8-9H2,1H3
InChIKeyXWYCFFPKGCWXBE-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.77
Rot. Bonds3

About 2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane

2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane (PubChem CID 66334604) has the molecular formula C14H13BrO2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane.

Molecular Properties

Compound Name2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane
PubChem CID66334604
Molecular FormulaC14H13BrO2
Molecular Weight293.16 g/mol
Exact Mass292.01
IUPAC Name2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane
SMILESCC1(COc2ccc3cc(Br)ccc3c2)CO1
InChIInChI=1S/C14H13BrO2/c1-14(9-17-14)8-16-13-5-3-10-6-12(15)4-2-11(10)7-13/h2-7H,8-9H2,1H3
InChIKeyXWYCFFPKGCWXBE-UHFFFAOYSA-N
XLogP3.77
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane?
The IUPAC name of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane (CID 66334604) is 2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane.
What is the SMILES notation for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane?
The canonical SMILES for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane is CC1(COc2ccc3cc(Br)ccc3c2)CO1.
What is the InChIKey of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane?
The InChIKey is XWYCFFPKGCWXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2/c1-14(9-17-14)8-16-13-5-3-10-6-12(15)4-2-11(10)7-13/h2-7H,8-9H2,1H3.
What are the key properties of 2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane?
2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane has a molecular weight of 293.16 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromonaphthalen-2-yl)oxymethyl]-2-methyloxirane is sourced from PubChem (CID 66334604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).