methane;1-nitroanthracen-9-ol

C15H13NO3 — CID 21197329

IUPACmethane;1-nitroanthracen-9-ol
SMILESC.O=[N+]([O-])c1cccc2cc3ccccc3c(O)c12
InChIInChI=1S/C14H9NO3.CH4/c16-14-11-6-2-1-4-9(11)8-10-5-3-7-12(13(10)14)15(17)18;/h1-8,16H;1H4
InChIKeyJPOJLCXSZVWFDT-UHFFFAOYSA-N
MW255.27 g/mol
LogP4.24
Rot. Bonds1

About methane;1-nitroanthracen-9-ol

methane;1-nitroanthracen-9-ol (PubChem CID 21197329) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is methane;1-nitroanthracen-9-ol.

Molecular Properties

Compound Namemethane;1-nitroanthracen-9-ol
PubChem CID21197329
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Namemethane;1-nitroanthracen-9-ol
SMILESC.O=[N+]([O-])c1cccc2cc3ccccc3c(O)c12
InChIInChI=1S/C14H9NO3.CH4/c16-14-11-6-2-1-4-9(11)8-10-5-3-7-12(13(10)14)15(17)18;/h1-8,16H;1H4
InChIKeyJPOJLCXSZVWFDT-UHFFFAOYSA-N
XLogP4.24
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 54.24
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-nitrophenanthrene
CID 139058403
1-bromoanthracen-9-ol;methane
CID 21197331
1,5,9-trinitrotriphenylene
CID 86227277
3-nitroanthracen-9-ol
CID 22457424
1-nitronaphthalene;hydrate
CID 174470741
5,8-dinitrobenzo[e]pyrene
CID 134693676
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
formonitrile;1-nitronaphthalene
CID 174387830
9-[2-(5-nitronaphthalen-1-yl)ethynyl]anthracene
CID 132574578
benzene-1,4-diamine;1-nitrotetracene
CID 157077126
15-nitro-2-oxapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaene
CID 118167285
1,2,3-trinitronaphthalene
CID 22719066

Frequently Asked Questions

What is the IUPAC name of methane;1-nitroanthracen-9-ol?
The IUPAC name of methane;1-nitroanthracen-9-ol (CID 21197329) is methane;1-nitroanthracen-9-ol.
What is the SMILES notation for methane;1-nitroanthracen-9-ol?
The canonical SMILES for methane;1-nitroanthracen-9-ol is C.O=[N+]([O-])c1cccc2cc3ccccc3c(O)c12.
What is the InChIKey of methane;1-nitroanthracen-9-ol?
The InChIKey is JPOJLCXSZVWFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3.CH4/c16-14-11-6-2-1-4-9(11)8-10-5-3-7-12(13(10)14)15(17)18;/h1-8,16H;1H4.
What are the key properties of methane;1-nitroanthracen-9-ol?
methane;1-nitroanthracen-9-ol has a molecular weight of 255.27 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-nitroanthracen-9-ol is sourced from PubChem (CID 21197329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).