(3-nitronaphthalen-2-yl)methanol

C11H9NO3 — CID 4076989

IUPAC(3-nitronaphthalen-2-yl)methanol
SMILESO=[N+]([O-])c1cc2ccccc2cc1CO
InChIInChI=1S/C11H9NO3/c13-7-10-5-8-3-1-2-4-9(8)6-11(10)12(14)15/h1-6,13H,7H2
InChIKeyYLIFSPRRWWMMPC-UHFFFAOYSA-N
MW203.20 g/mol
LogP2.24
Rot. Bonds2

About (3-nitronaphthalen-2-yl)methanol

(3-nitronaphthalen-2-yl)methanol (PubChem CID 4076989) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (3-nitronaphthalen-2-yl)methanol.

Molecular Properties

Compound Name(3-nitronaphthalen-2-yl)methanol
PubChem CID4076989
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(3-nitronaphthalen-2-yl)methanol
SMILESO=[N+]([O-])c1cc2ccccc2cc1CO
InChIInChI=1S/C11H9NO3/c13-7-10-5-8-3-1-2-4-9(8)6-11(10)12(14)15/h1-6,13H,7H2
InChIKeyYLIFSPRRWWMMPC-UHFFFAOYSA-N
XLogP2.24
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.24
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'}

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Related Compounds

[5-(hydroxymethyl)-2,4-dinitrophenyl]methanol
CID 3316930
2,3-dinitrohexacene
CID 101108857
(2,4,5-trinitrophenyl)methanol
CID 53422846
(2-nitrophenyl)methanol
CID 11923
3-nitronaphthalen-2-ol
CID 15859501
methanol;(2-nitrophenyl)methanol
CID 70046885
(4-fluoro-2-nitro-5-phenoxyphenyl)methanol
CID 59778138
(3-nitronaphthalen-2-yl)boronic acid
CID 140905609
1-nitronaphthalene;hydrate
CID 174470741
N-(2-aminoethyl)-2-[7-(hydroxymethyl)-6-nitronaphthalen-2-yl]oxyacetamide
CID 148891313
[4-methyl-2-nitro-5-(trifluoromethyl)phenyl]methanol
CID 131328443
3-nitronaphthalene-2-carbaldehyde
CID 12069028

Frequently Asked Questions

What is the IUPAC name of (3-nitronaphthalen-2-yl)methanol?
The IUPAC name of (3-nitronaphthalen-2-yl)methanol (CID 4076989) is (3-nitronaphthalen-2-yl)methanol.
What is the SMILES notation for (3-nitronaphthalen-2-yl)methanol?
The canonical SMILES for (3-nitronaphthalen-2-yl)methanol is O=[N+]([O-])c1cc2ccccc2cc1CO.
What is the InChIKey of (3-nitronaphthalen-2-yl)methanol?
The InChIKey is YLIFSPRRWWMMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-7-10-5-8-3-1-2-4-9(8)6-11(10)12(14)15/h1-6,13H,7H2.
What are the key properties of (3-nitronaphthalen-2-yl)methanol?
(3-nitronaphthalen-2-yl)methanol has a molecular weight of 203.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitronaphthalen-2-yl)methanol is sourced from PubChem (CID 4076989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).