1-(2-nitroethyl)naphthalen-2-ol

C12H11NO3 — CID 13357014

IUPAC1-(2-nitroethyl)naphthalen-2-ol
SMILESO=[N+]([O-])CCc1c(O)ccc2ccccc12
InChIInChI=1S/C12H11NO3/c14-12-6-5-9-3-1-2-4-10(9)11(12)7-8-13(15)16/h1-6,14H,7-8H2
InChIKeyKPBFKBMFARSVIH-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.36
Rot. Bonds3

About 1-(2-nitroethyl)naphthalen-2-ol

1-(2-nitroethyl)naphthalen-2-ol (PubChem CID 13357014) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(2-nitroethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(2-nitroethyl)naphthalen-2-ol
PubChem CID13357014
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(2-nitroethyl)naphthalen-2-ol
SMILESO=[N+]([O-])CCc1c(O)ccc2ccccc12
InChIInChI=1S/C12H11NO3/c14-12-6-5-9-3-1-2-4-10(9)11(12)7-8-13(15)16/h1-6,14H,7-8H2
InChIKeyKPBFKBMFARSVIH-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
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

1-(2-hydroxyethyl)naphthalen-2-ol
CID 19602212
4-(2-hydroxynaphthalen-1-yl)-2-oxobutanoic acid
CID 82185756
1-[2-(2-bromophenyl)ethyl]naphthalen-2-ol
CID 177465665
1-(2-aminooxyethyl)naphthalen-2-ol
CID 117291431
3-(2-hydroxynaphthalen-1-yl)-1-phenylpropan-1-one
CID 56688148
1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
CID 175567947
benzoic acid;1-[(2-hydroxynaphthalen-1-yl)methyl]naphthalen-2-ol
CID 69303961
1-[(E)-but-2-enyl]naphthalen-2-ol
CID 11564655
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
CID 15213459
2-[(2-hydroxynaphthalen-1-yl)methylamino]ethanesulfonamide
CID 43551924
1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol
CID 78924775
1-(2-nitroethoxy)naphthalene
CID 1313716

Frequently Asked Questions

What is the IUPAC name of 1-(2-nitroethyl)naphthalen-2-ol?
The IUPAC name of 1-(2-nitroethyl)naphthalen-2-ol (CID 13357014) is 1-(2-nitroethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(2-nitroethyl)naphthalen-2-ol?
The canonical SMILES for 1-(2-nitroethyl)naphthalen-2-ol is O=[N+]([O-])CCc1c(O)ccc2ccccc12.
What is the InChIKey of 1-(2-nitroethyl)naphthalen-2-ol?
The InChIKey is KPBFKBMFARSVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-12-6-5-9-3-1-2-4-10(9)11(12)7-8-13(15)16/h1-6,14H,7-8H2.
What are the key properties of 1-(2-nitroethyl)naphthalen-2-ol?
1-(2-nitroethyl)naphthalen-2-ol has a molecular weight of 217.22 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitroethyl)naphthalen-2-ol is sourced from PubChem (CID 13357014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).