5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol

C12H15NO2 — CID 136592041

IUPAC5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol
SMILESCON=C1CCCc2cc(O)c(C)cc21
InChIInChI=1S/C12H15NO2/c1-8-6-10-9(7-12(8)14)4-3-5-11(10)13-15-2/h6-7,14H,3-5H2,1-2H3
InChIKeyYXJDGBKUXPAEQN-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.39
Rot. Bonds1

About 5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol

5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol (PubChem CID 136592041) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol.

Molecular Properties

Compound Name5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol
PubChem CID136592041
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol
SMILESCON=C1CCCc2cc(O)c(C)cc21
InChIInChI=1S/C12H15NO2/c1-8-6-10-9(7-12(8)14)4-3-5-11(10)13-15-2/h6-7,14H,3-5H2,1-2H3
InChIKeyYXJDGBKUXPAEQN-UHFFFAOYSA-N
XLogP2.39
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol?
The IUPAC name of 5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol (CID 136592041) is 5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol.
What is the SMILES notation for 5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol?
The canonical SMILES for 5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol is CON=C1CCCc2cc(O)c(C)cc21.
What is the InChIKey of 5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol?
The InChIKey is YXJDGBKUXPAEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-6-10-9(7-12(8)14)4-3-5-11(10)13-15-2/h6-7,14H,3-5H2,1-2H3.
What are the key properties of 5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol?
5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol has a molecular weight of 205.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyimino-3-methyl-7,8-dihydro-6H-naphthalen-2-ol is sourced from PubChem (CID 136592041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).