2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane

C13H16O2 — CID 142155631

IUPAC2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane
SMILESCOC1(C2CCc3ccccc3C2)CO1
InChIInChI=1S/C13H16O2/c1-14-13(9-15-13)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12H,6-9H2,1H3
InChIKeyWLZOLSDLLRTENL-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.16
Rot. Bonds2

About 2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane

2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane (PubChem CID 142155631) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane.

Molecular Properties

Compound Name2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane
PubChem CID142155631
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane
SMILESCOC1(C2CCc3ccccc3C2)CO1
InChIInChI=1S/C13H16O2/c1-14-13(9-15-13)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12H,6-9H2,1H3
InChIKeyWLZOLSDLLRTENL-UHFFFAOYSA-N
XLogP2.16
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.16
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-ethenyl-1,2,3,4-tetrahydronaphthalene
CID 18314182
(2R)-N-(2-methoxyphenyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 31196228
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]azanium
CID 40572503
1,2,3,4-tetrahydronaphthalen-2-yl formate
CID 88796970
CID 101167428
CID 101167428
trimethyl(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yloxy)silane
CID 589002
(1-methoxy-9b-trimethylsilyloxy-3,3a,4,5-tetrahydro-2H-cyclopenta[a]naphthalen-1-yl)oxy-trimethylsilane
CID 101256549
(5S)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488951
(5R)-5-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]pyrrolidin-2-one
CID 125488949
ethane;2-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 142915182
benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane?
The IUPAC name of 2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane (CID 142155631) is 2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane.
What is the SMILES notation for 2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane?
The canonical SMILES for 2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane is COC1(C2CCc3ccccc3C2)CO1.
What is the InChIKey of 2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane?
The InChIKey is WLZOLSDLLRTENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-14-13(9-15-13)12-7-6-10-4-2-3-5-11(10)8-12/h2-5,12H,6-9H2,1H3.
What are the key properties of 2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane?
2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane has a molecular weight of 204.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1,2,3,4-tetrahydronaphthalen-2-yl)oxirane is sourced from PubChem (CID 142155631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).