6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene

C12H14O2 — CID 54098142

IUPAC6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
SMILESCOc1ccc2c(c1)C1(C)OC1CC2
InChIInChI=1S/C12H14O2/c1-12-10-7-9(13-2)5-3-8(10)4-6-11(12)14-12/h3,5,7,11H,4,6H2,1-2H3
InChIKeyMYPKVMVMWBBFLP-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.26
Rot. Bonds1

About 6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene

6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene (PubChem CID 54098142) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene.

Molecular Properties

Compound Name6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
PubChem CID54098142
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
SMILESCOc1ccc2c(c1)C1(C)OC1CC2
InChIInChI=1S/C12H14O2/c1-12-10-7-9(13-2)5-3-8(10)4-6-11(12)14-12/h3,5,7,11H,4,6H2,1-2H3
InChIKeyMYPKVMVMWBBFLP-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

4-fluoro-6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene
CID 146360843
7-methoxyspiro[3,4-dihydro-2H-naphthalene-1,1'-cyclopropane]-2-ol
CID 115010787
(1S,10aS)-6-methoxy-1,4a-dimethyl-1,3,4,9,10,10a-hexahydrophenanthren-2-one
CID 58886884
(3aS,9bR)-8-methoxy-9b-methyl-1,2,3,3a,4,5-hexahydrobenzo[e]indole
CID 132566320
(2S,4aS)-2-iodo-6-methoxy-1,1,4a-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene
CID 66806738
(1R,4aS,10aS)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydro-1H-phenanthrene;carbon dioxide
CID 158179701
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
7-methoxy-2-methyl-1,2,3,4-tetrahydronaphthalene;hydrochloride
CID 19889857
(1R)-5-methoxy-1,3,3-trimethyl-1H-2-benzofuran
CID 166439561
1-cyclopentyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79374780
methyl 5-methoxy-2'-methylspiro[1,2-dihydroindene-3,3'-oxirane]-2'-carboxylate
CID 79368968

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene?
The IUPAC name of 6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene (CID 54098142) is 6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene.
What is the SMILES notation for 6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene?
The canonical SMILES for 6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene is COc1ccc2c(c1)C1(C)OC1CC2.
What is the InChIKey of 6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene?
The InChIKey is MYPKVMVMWBBFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-12-10-7-9(13-2)5-3-8(10)4-6-11(12)14-12/h3,5,7,11H,4,6H2,1-2H3.
What are the key properties of 6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene?
6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene 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 6-methoxy-7b-methyl-2,3-dihydro-1aH-naphtho[1,2-b]oxirene is sourced from PubChem (CID 54098142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).