9-methoxy-2-methyl-7-nitroanthracene

C16H13NO3 — CID 59546635

IUPAC9-methoxy-2-methyl-7-nitroanthracene
SMILESCOc1c2cc(C)ccc2cc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H13NO3/c1-10-3-4-11-8-12-5-6-13(17(18)19)9-15(12)16(20-2)14(11)7-10/h3-9H,1-2H3
InChIKeyRKSNRXJXOGLMNW-UHFFFAOYSA-N
MW267.28 g/mol
LogP4.22
Rot. Bonds2

About 9-methoxy-2-methyl-7-nitroanthracene

9-methoxy-2-methyl-7-nitroanthracene (PubChem CID 59546635) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 9-methoxy-2-methyl-7-nitroanthracene.

Molecular Properties

Compound Name9-methoxy-2-methyl-7-nitroanthracene
PubChem CID59546635
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name9-methoxy-2-methyl-7-nitroanthracene
SMILESCOc1c2cc(C)ccc2cc2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H13NO3/c1-10-3-4-11-8-12-5-6-13(17(18)19)9-15(12)16(20-2)14(11)7-10/h3-9H,1-2H3
InChIKeyRKSNRXJXOGLMNW-UHFFFAOYSA-N
XLogP4.22
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 54.22
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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4-methoxy-2-methyl-6-nitroquinoline
CID 46708178
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
9-methoxy-3,6-dinitrocarbazole
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2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
1-methyl-3-nitrobenzene
CID 7422
1-(2,5-dinitrophenoxy)-2,5-dimethoxy-3,4-dimethylbenzene
CID 24796430
7-methyl-1-nitronaphthalen-2-ol
CID 170439338
1,2,6-trinitronaphthalene
CID 147305326
1-methyl-4-nitrobenzene;molecular nitrogen
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Frequently Asked Questions

What is the IUPAC name of 9-methoxy-2-methyl-7-nitroanthracene?
The IUPAC name of 9-methoxy-2-methyl-7-nitroanthracene (CID 59546635) is 9-methoxy-2-methyl-7-nitroanthracene.
What is the SMILES notation for 9-methoxy-2-methyl-7-nitroanthracene?
The canonical SMILES for 9-methoxy-2-methyl-7-nitroanthracene is COc1c2cc(C)ccc2cc2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 9-methoxy-2-methyl-7-nitroanthracene?
The InChIKey is RKSNRXJXOGLMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-10-3-4-11-8-12-5-6-13(17(18)19)9-15(12)16(20-2)14(11)7-10/h3-9H,1-2H3.
What are the key properties of 9-methoxy-2-methyl-7-nitroanthracene?
9-methoxy-2-methyl-7-nitroanthracene has a molecular weight of 267.28 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-2-methyl-7-nitroanthracene is sourced from PubChem (CID 59546635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).