8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol

C17H15NO3 — CID 163786279

IUPAC8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol
SMILESCC12C=C(O)C=CC1=CC=CC2c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15NO3/c1-17-11-13(19)10-9-12(17)5-4-7-15(17)14-6-2-3-8-16(14)18(20)21/h2-11,15,19H,1H3
InChIKeyMSVIBTYAFACHJA-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.19
Rot. Bonds2

About 8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol

8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol (PubChem CID 163786279) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol.

Molecular Properties

Compound Name8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol
PubChem CID163786279
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol
SMILESCC12C=C(O)C=CC1=CC=CC2c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C17H15NO3/c1-17-11-13(19)10-9-12(17)5-4-7-15(17)14-6-2-3-8-16(14)18(20)21/h2-11,15,19H,1H3
InChIKeyMSVIBTYAFACHJA-UHFFFAOYSA-N
XLogP4.19
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', '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 8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol?
The IUPAC name of 8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol (CID 163786279) is 8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol.
What is the SMILES notation for 8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol?
The canonical SMILES for 8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol is CC12C=C(O)C=CC1=CC=CC2c1ccccc1[N+](=O)[O-].
What is the InChIKey of 8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol?
The InChIKey is MSVIBTYAFACHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-17-11-13(19)10-9-12(17)5-4-7-15(17)14-6-2-3-8-16(14)18(20)21/h2-11,15,19H,1H3.
What are the key properties of 8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol?
8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol has a molecular weight of 281.31 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-8-(2-nitrophenyl)-8H-naphthalen-2-ol is sourced from PubChem (CID 163786279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).