3-nitroanthracen-9-ol

C14H9NO3 — CID 22457424

IUPAC3-nitroanthracen-9-ol
SMILESO=[N+]([O-])c1ccc2c(O)c3ccccc3cc2c1
InChIInChI=1S/C14H9NO3/c16-14-12-4-2-1-3-9(12)7-10-8-11(15(17)18)5-6-13(10)14/h1-8,16H
InChIKeyABASGVRIHWMDMH-UHFFFAOYSA-N
MW239.23 g/mol
LogP3.61
Rot. Bonds1

About 3-nitroanthracen-9-ol

3-nitroanthracen-9-ol (PubChem CID 22457424) has the molecular formula C14H9NO3 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-nitroanthracen-9-ol.

Molecular Properties

Compound Name3-nitroanthracen-9-ol
PubChem CID22457424
Molecular FormulaC14H9NO3
Molecular Weight239.23 g/mol
Exact Mass239.06
IUPAC Name3-nitroanthracen-9-ol
SMILESO=[N+]([O-])c1ccc2c(O)c3ccccc3cc2c1
InChIInChI=1S/C14H9NO3/c16-14-12-4-2-1-3-9(12)7-10-8-11(15(17)18)5-6-13(10)14/h1-8,16H
InChIKeyABASGVRIHWMDMH-UHFFFAOYSA-N
XLogP3.61
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 53.61
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

6-nitro-1-(6-nitronaphthalen-1-yl)naphthalene
CID 174928469
9-(6-nitronaphthalen-2-yl)anthracene
CID 174679539
1-chloro-6-nitronaphthalene
CID 25003184
methane;1-nitroanthracen-9-ol
CID 21197329
1-chloro-3-nitronaphthalene
CID 13462997
2-(anthracen-9-ylmethylideneamino)-4-nitrophenol
CID 932237
3-bromoanthracen-9-ol
CID 23035853
[1-[(1-hydroxynaphthalen-2-yl)diazenyl]-6-nitronaphthalen-2-yl] hydrogen sulfite
CID 174579795
2-fluoro-7-nitronaphthalen-1-ol
CID 169489335
3-nitroacridin-9-amine
CID 26592
1-(bromomethyl)-3-nitronaphthalene
CID 12749181
sodium 3-hydroxy-4-[(1-hydroxynaphthalen-2-yl)diazenyl]-7-nitronaphthalene-1-sulfonic acid
CID 135422055

Frequently Asked Questions

What is the IUPAC name of 3-nitroanthracen-9-ol?
The IUPAC name of 3-nitroanthracen-9-ol (CID 22457424) is 3-nitroanthracen-9-ol.
What is the SMILES notation for 3-nitroanthracen-9-ol?
The canonical SMILES for 3-nitroanthracen-9-ol is O=[N+]([O-])c1ccc2c(O)c3ccccc3cc2c1.
What is the InChIKey of 3-nitroanthracen-9-ol?
The InChIKey is ABASGVRIHWMDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO3/c16-14-12-4-2-1-3-9(12)7-10-8-11(15(17)18)5-6-13(10)14/h1-8,16H.
What are the key properties of 3-nitroanthracen-9-ol?
3-nitroanthracen-9-ol has a molecular weight of 239.23 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitroanthracen-9-ol is sourced from PubChem (CID 22457424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).