2-(2-nitrophenyl)cyclohexan-1-ol

C12H15NO3 — CID 82242231

IUPAC2-(2-nitrophenyl)cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccccc1C1CCCCC1O
InChIInChI=1S/C12H15NO3/c14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(15)16/h1,3,5,7,10,12,14H,2,4,6,8H2
InChIKeyDQHOFPRORKFGFB-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.61
Rot. Bonds2

About 2-(2-nitrophenyl)cyclohexan-1-ol

2-(2-nitrophenyl)cyclohexan-1-ol (PubChem CID 82242231) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(2-nitrophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-nitrophenyl)cyclohexan-1-ol
PubChem CID82242231
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(2-nitrophenyl)cyclohexan-1-ol
SMILESO=[N+]([O-])c1ccccc1C1CCCCC1O
InChIInChI=1S/C12H15NO3/c14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(15)16/h1,3,5,7,10,12,14H,2,4,6,8H2
InChIKeyDQHOFPRORKFGFB-UHFFFAOYSA-N
XLogP2.61
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.61
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)cyclohexan-1-ol?
The IUPAC name of 2-(2-nitrophenyl)cyclohexan-1-ol (CID 82242231) is 2-(2-nitrophenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-nitrophenyl)cyclohexan-1-ol?
The canonical SMILES for 2-(2-nitrophenyl)cyclohexan-1-ol is O=[N+]([O-])c1ccccc1C1CCCCC1O.
What is the InChIKey of 2-(2-nitrophenyl)cyclohexan-1-ol?
The InChIKey is DQHOFPRORKFGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12-8-4-2-6-10(12)9-5-1-3-7-11(9)13(15)16/h1,3,5,7,10,12,14H,2,4,6,8H2.
What are the key properties of 2-(2-nitrophenyl)cyclohexan-1-ol?
2-(2-nitrophenyl)cyclohexan-1-ol has a molecular weight of 221.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)cyclohexan-1-ol is sourced from PubChem (CID 82242231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).