2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane

C13H11BrO2 — CID 139750661

IUPAC2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane
SMILESBrc1cccc2cccc(OCC3CO3)c12
InChIInChI=1S/C13H11BrO2/c14-11-5-1-3-9-4-2-6-12(13(9)11)16-8-10-7-15-10/h1-6,10H,7-8H2
InChIKeyHTJMMYVNMFBJAR-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.38
Rot. Bonds3

About 2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane

2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane (PubChem CID 139750661) has the molecular formula C13H11BrO2 and a molecular weight of 279.13 g/mol. Its IUPAC name is 2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane
PubChem CID139750661
Molecular FormulaC13H11BrO2
Molecular Weight279.13 g/mol
Exact Mass277.99
IUPAC Name2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane
SMILESBrc1cccc2cccc(OCC3CO3)c12
InChIInChI=1S/C13H11BrO2/c14-11-5-1-3-9-4-2-6-12(13(9)11)16-8-10-7-15-10/h1-6,10H,7-8H2
InChIKeyHTJMMYVNMFBJAR-UHFFFAOYSA-N
XLogP3.38
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.38
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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Related Compounds

2-[[3-methyl-8-(oxiran-2-ylmethoxy)naphthalen-1-yl]oxymethyl]oxirane
CID 139834073
2-[2-bromo-3-[[(2R)-oxiran-2-yl]methoxy]phenyl]-1,3-dioxolane
CID 155128506
(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
3-methyl-4-(oxiran-2-ylmethoxy)-1H-indole
CID 15020336
1,2-dibromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87260520
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
7-(oxiran-2-ylmethoxy)-1-benzofuran-2-sulfonamide
CID 88622525
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
2-[[1-[2-(oxiran-2-ylmethoxy)naphthalen-1-yl]naphthalen-2-yl]oxymethyl]oxirane
CID 86159181
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
1,4-diethylbenzene;methane;bis(2-(naphthalen-1-yloxymethyl)oxirane)
CID 158268997
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140

Frequently Asked Questions

What is the IUPAC name of 2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane?
The IUPAC name of 2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane (CID 139750661) is 2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane.
What is the SMILES notation for 2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane?
The canonical SMILES for 2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane is Brc1cccc2cccc(OCC3CO3)c12.
What is the InChIKey of 2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane?
The InChIKey is HTJMMYVNMFBJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrO2/c14-11-5-1-3-9-4-2-6-12(13(9)11)16-8-10-7-15-10/h1-6,10H,7-8H2.
What are the key properties of 2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane?
2-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane has a molecular weight of 279.13 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-[(8-bromonaphthalen-1-yl)oxymethyl]oxirane is sourced from PubChem (CID 139750661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).