3-methoxy-8-nitrobenzo[c]phenanthrene

C19H13NO3 — CID 10709540

IUPAC3-methoxy-8-nitrobenzo[c]phenanthrene
SMILESCOc1ccc2c(ccc3cc([N+](=O)[O-])c4ccccc4c32)c1
InChIInChI=1S/C19H13NO3/c1-23-14-8-9-15-12(10-14)6-7-13-11-18(20(21)22)16-4-2-3-5-17(16)19(13)15/h2-11H,1H3
InChIKeyJMQGCOFPUFQUGY-UHFFFAOYSA-N
MW303.32 g/mol
LogP5.06
Rot. Bonds2

About 3-methoxy-8-nitrobenzo[c]phenanthrene

3-methoxy-8-nitrobenzo[c]phenanthrene (PubChem CID 10709540) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 3-methoxy-8-nitrobenzo[c]phenanthrene.

Molecular Properties

Compound Name3-methoxy-8-nitrobenzo[c]phenanthrene
PubChem CID10709540
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name3-methoxy-8-nitrobenzo[c]phenanthrene
SMILESCOc1ccc2c(ccc3cc([N+](=O)[O-])c4ccccc4c32)c1
InChIInChI=1S/C19H13NO3/c1-23-14-8-9-15-12(10-14)6-7-13-11-18(20(21)22)16-4-2-3-5-17(16)19(13)15/h2-11H,1H3
InChIKeyJMQGCOFPUFQUGY-UHFFFAOYSA-N
XLogP5.06
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.32
LogP ≤ 55.06
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_3', 'substructure': 'N/A'}

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Related Compounds

5,8-dinitrobenzo[e]pyrene
CID 134693676
6-methoxy-1-(2-nitrophenyl)isoquinoline
CID 134913615
1,2-dimethoxy-4-nitronaphthalene
CID 12579212
chrysene;6-nitrochrysene
CID 161186476
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
4-methoxy-2-(5-methoxy-2-nitrophenyl)-1-nitrobenzene
CID 12582438
methane;6-nitrochrysene
CID 87770303
1-methoxy-2-nitronaphthalene
CID 10899709
4-methoxy-2-nitro-1-phenylbenzene
CID 11401937
1-[(4-methoxy-2-nitrophenoxy)methyl]benzo[f]chromen-3-one
CID 7473403
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
4-(2-nitrophenyl)benzo[c]phenanthrene
CID 154597914

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-nitrobenzo[c]phenanthrene?
The IUPAC name of 3-methoxy-8-nitrobenzo[c]phenanthrene (CID 10709540) is 3-methoxy-8-nitrobenzo[c]phenanthrene.
What is the SMILES notation for 3-methoxy-8-nitrobenzo[c]phenanthrene?
The canonical SMILES for 3-methoxy-8-nitrobenzo[c]phenanthrene is COc1ccc2c(ccc3cc([N+](=O)[O-])c4ccccc4c32)c1.
What is the InChIKey of 3-methoxy-8-nitrobenzo[c]phenanthrene?
The InChIKey is JMQGCOFPUFQUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO3/c1-23-14-8-9-15-12(10-14)6-7-13-11-18(20(21)22)16-4-2-3-5-17(16)19(13)15/h2-11H,1H3.
What are the key properties of 3-methoxy-8-nitrobenzo[c]phenanthrene?
3-methoxy-8-nitrobenzo[c]phenanthrene has a molecular weight of 303.32 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-nitrobenzo[c]phenanthrene is sourced from PubChem (CID 10709540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).