8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]

C12H14O2 — CID 13270870

IUPAC8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
SMILESCOc1cccc2c1CCCC21CO1
InChIInChI=1S/C12H14O2/c1-13-11-6-2-5-10-9(11)4-3-7-12(10)8-14-12/h2,5-6H,3-4,7-8H2,1H3
InChIKeyOAWBYKTZMHIUFR-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.26
Rot. Bonds1

About 8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]

8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane] (PubChem CID 13270870) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane].

Molecular Properties

Compound Name8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
PubChem CID13270870
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]
SMILESCOc1cccc2c1CCCC21CO1
InChIInChI=1S/C12H14O2/c1-13-11-6-2-5-10-9(11)4-3-7-12(10)8-14-12/h2,5-6H,3-4,7-8H2,1H3
InChIKeyOAWBYKTZMHIUFR-UHFFFAOYSA-N
XLogP2.26
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.26
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

7-methoxyspiro[1,2-dihydroindene-3,4'-oxane]
CID 118314453
7-methoxy-4'-methylspiro[1,2-dihydroindene-3,1'-cyclohexane]
CID 118314467
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclohexane]-2-ol
CID 115010876
1-hydroxy-4-methoxy-2,3-dihydroindene-1-carboxylic acid
CID 18518702
8-fluorospiro[2,3-dihydro-1H-naphthalene-4,2'-oxetane]
CID 84619079
(4aS)-8-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 14167541
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
2,8-dimethoxy-4a-methyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene
CID 24973163
5-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopentane]-2-carboxylic acid
CID 115057152
4-(2,6-dimethoxyphenyl)-6,7-dihydro-5H-1-benzofuran-4-ol
CID 116809816
5-methoxy-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 177395557
5-methoxy-2'-methylidenespiro[4H-isochromene-3,1'-cyclohexane]-1-one
CID 102417201

Frequently Asked Questions

What is the IUPAC name of 8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]?
The IUPAC name of 8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane] (CID 13270870) is 8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane].
What is the SMILES notation for 8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]?
The canonical SMILES for 8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane] is COc1cccc2c1CCCC21CO1.
What is the InChIKey of 8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]?
The InChIKey is OAWBYKTZMHIUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-13-11-6-2-5-10-9(11)4-3-7-12(10)8-14-12/h2,5-6H,3-4,7-8H2,1H3.
What are the key properties of 8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane]?
8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane] has a molecular weight of 190.24 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-oxirane] is sourced from PubChem (CID 13270870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).