(2-nitrophenyl)-phenylmethanol

C13H11NO3 — CID 555674

IUPAC(2-nitrophenyl)-phenylmethanol
SMILESO=[N+]([O-])c1ccccc1C(O)c1ccccc1
InChIInChI=1S/C13H11NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13,15H
InChIKeyAIHHQWUKHCUKLJ-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.68
Rot. Bonds3

About (2-nitrophenyl)-phenylmethanol

(2-nitrophenyl)-phenylmethanol (PubChem CID 555674) has the molecular formula C13H11NO3 and a molecular weight of 229.24 g/mol. Its IUPAC name is (2-nitrophenyl)-phenylmethanol.

Molecular Properties

Compound Name(2-nitrophenyl)-phenylmethanol
PubChem CID555674
Molecular FormulaC13H11NO3
Molecular Weight229.24 g/mol
Exact Mass229.07
IUPAC Name(2-nitrophenyl)-phenylmethanol
SMILESO=[N+]([O-])c1ccccc1C(O)c1ccccc1
InChIInChI=1S/C13H11NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13,15H
InChIKeyAIHHQWUKHCUKLJ-UHFFFAOYSA-N
XLogP2.68
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.68
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-nitrophenyl)-phenylmethanol?
The IUPAC name of (2-nitrophenyl)-phenylmethanol (CID 555674) is (2-nitrophenyl)-phenylmethanol.
What is the SMILES notation for (2-nitrophenyl)-phenylmethanol?
The canonical SMILES for (2-nitrophenyl)-phenylmethanol is O=[N+]([O-])c1ccccc1C(O)c1ccccc1.
What is the InChIKey of (2-nitrophenyl)-phenylmethanol?
The InChIKey is AIHHQWUKHCUKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9,13,15H.
What are the key properties of (2-nitrophenyl)-phenylmethanol?
(2-nitrophenyl)-phenylmethanol has a molecular weight of 229.24 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl)-phenylmethanol is sourced from PubChem (CID 555674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).