2-(1-nitronaphthalen-2-yl)ethanol

C12H11NO3 — CID 121008268

IUPAC2-(1-nitronaphthalen-2-yl)ethanol
SMILESO=[N+]([O-])c1c(CCO)ccc2ccccc12
InChIInChI=1S/C12H11NO3/c14-8-7-10-6-5-9-3-1-2-4-11(9)12(10)13(15)16/h1-6,14H,7-8H2
InChIKeySPTMPDLKDCGFRB-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.28
Rot. Bonds3

About 2-(1-nitronaphthalen-2-yl)ethanol

2-(1-nitronaphthalen-2-yl)ethanol (PubChem CID 121008268) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2-(1-nitronaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name2-(1-nitronaphthalen-2-yl)ethanol
PubChem CID121008268
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name2-(1-nitronaphthalen-2-yl)ethanol
SMILESO=[N+]([O-])c1c(CCO)ccc2ccccc12
InChIInChI=1S/C12H11NO3/c14-8-7-10-6-5-9-3-1-2-4-11(9)12(10)13(15)16/h1-6,14H,7-8H2
InChIKeySPTMPDLKDCGFRB-UHFFFAOYSA-N
XLogP2.28
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.28
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'}

Analyze 2-(1-nitronaphthalen-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromoethyl)-1-nitronaphthalene
CID 18370855
1-nitro-2-propylnaphthalene
CID 19077753
4-(1-nitronaphthalen-2-yl)-2-nitrosobutanoic acid
CID 57292960
(1-nitronaphthalen-2-yl)methyl-triphenylphosphanium
CID 71338092
methyl 2-hydroxyimino-4-(1-nitronaphthalen-2-yl)butanoate
CID 73432749
2-[1-[2-(2-hydroxyethyl)naphthalen-1-yl]naphthalen-2-yl]ethanol
CID 10405122
6-(2-hydroxyethyl)-5-nitrochromen-2-one
CID 59776451
1-(1-nitronaphthalen-2-yl)ethanone
CID 167328369
2-(3-amino-4-ethyl-2-nitrophenyl)ethanol
CID 142998894
benzyl 2-hydroxyimino-4-(1-nitronaphthalen-2-yl)butanoate
CID 73432758
2-[4-(2-hydroxyethyl)naphthalen-1-yl]ethanol
CID 12582392
2-[4-(2-hydroxyethyl)phenanthren-1-yl]ethanol
CID 87369829

Frequently Asked Questions

What is the IUPAC name of 2-(1-nitronaphthalen-2-yl)ethanol?
The IUPAC name of 2-(1-nitronaphthalen-2-yl)ethanol (CID 121008268) is 2-(1-nitronaphthalen-2-yl)ethanol.
What is the SMILES notation for 2-(1-nitronaphthalen-2-yl)ethanol?
The canonical SMILES for 2-(1-nitronaphthalen-2-yl)ethanol is O=[N+]([O-])c1c(CCO)ccc2ccccc12.
What is the InChIKey of 2-(1-nitronaphthalen-2-yl)ethanol?
The InChIKey is SPTMPDLKDCGFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-8-7-10-6-5-9-3-1-2-4-11(9)12(10)13(15)16/h1-6,14H,7-8H2.
What are the key properties of 2-(1-nitronaphthalen-2-yl)ethanol?
2-(1-nitronaphthalen-2-yl)ethanol has a molecular weight of 217.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitronaphthalen-2-yl)ethanol is sourced from PubChem (CID 121008268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).