9-methyl-10-nitro-9,10-dihydroanthracene

C15H13NO2 — CID 13004595

IUPAC9-methyl-10-nitro-9,10-dihydroanthracene
SMILESCC1c2ccccc2C([N+](=O)[O-])c2ccccc21
InChIInChI=1S/C15H13NO2/c1-10-11-6-2-4-8-13(11)15(16(17)18)14-9-5-3-7-12(10)14/h2-10,15H,1H3
InChIKeyDWOYWVBCPYYARB-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.52
Rot. Bonds1

About 9-methyl-10-nitro-9,10-dihydroanthracene

9-methyl-10-nitro-9,10-dihydroanthracene (PubChem CID 13004595) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 9-methyl-10-nitro-9,10-dihydroanthracene.

Molecular Properties

Compound Name9-methyl-10-nitro-9,10-dihydroanthracene
PubChem CID13004595
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name9-methyl-10-nitro-9,10-dihydroanthracene
SMILESCC1c2ccccc2C([N+](=O)[O-])c2ccccc21
InChIInChI=1S/C15H13NO2/c1-10-11-6-2-4-8-13(11)15(16(17)18)14-9-5-3-7-12(10)14/h2-10,15H,1H3
InChIKeyDWOYWVBCPYYARB-UHFFFAOYSA-N
XLogP3.52
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

1-nitro-3,4-dihydro-1H-naphthalen-2-one
CID 87514062
9-methyl-10-[2-(10-methyl-9,10-dihydroanthracen-9-yl)ethyl]-9,10-dihydroanthracene
CID 86175076
(1S,3R)-1,2,3-trimethyl-2,3-dihydro-1H-indene
CID 58834632
3-nitro-3H-indazole
CID 173392250
5-methyl-5H-benzo[d][1,3]benzodioxocin-11-one
CID 70420478
CID 177428050
CID 177428050
(4S,5R)-5-methyl-4-nitro-3-phenyl-4,5-dihydro-1,2-oxazole
CID 7073343
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
2-methylpyridine;nitric acid
CID 134537856
2-methyl-3-nitro-3,4-dihydroquinolin-4-amine
CID 178085206
(2R,3R,5S,6S)-4,4-dimethyl-2,6-bis(2-methylphenyl)-3,5-dinitropiperidine
CID 7407644
(2S,3R)-2-methyl-3-nitrospiro[cyclopropane-1,2'-indene]-1',3'-dione
CID 791392

Frequently Asked Questions

What is the IUPAC name of 9-methyl-10-nitro-9,10-dihydroanthracene?
The IUPAC name of 9-methyl-10-nitro-9,10-dihydroanthracene (CID 13004595) is 9-methyl-10-nitro-9,10-dihydroanthracene.
What is the SMILES notation for 9-methyl-10-nitro-9,10-dihydroanthracene?
The canonical SMILES for 9-methyl-10-nitro-9,10-dihydroanthracene is CC1c2ccccc2C([N+](=O)[O-])c2ccccc21.
What is the InChIKey of 9-methyl-10-nitro-9,10-dihydroanthracene?
The InChIKey is DWOYWVBCPYYARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-10-11-6-2-4-8-13(11)15(16(17)18)14-9-5-3-7-12(10)14/h2-10,15H,1H3.
What are the key properties of 9-methyl-10-nitro-9,10-dihydroanthracene?
9-methyl-10-nitro-9,10-dihydroanthracene has a molecular weight of 239.27 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-10-nitro-9,10-dihydroanthracene is sourced from PubChem (CID 13004595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).