(3-nitrophenyl)-diphenylmethanol

C19H15NO3 — CID 2936242

IUPAC(3-nitrophenyl)-diphenylmethanol
SMILESO=[N+]([O-])c1cccc(C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H15NO3/c21-19(15-8-3-1-4-9-15,16-10-5-2-6-11-16)17-12-7-13-18(14-17)20(22)23/h1-14,21H
InChIKeyAXNDLYJGRMBDHU-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.88
Rot. Bonds4

About (3-nitrophenyl)-diphenylmethanol

(3-nitrophenyl)-diphenylmethanol (PubChem CID 2936242) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (3-nitrophenyl)-diphenylmethanol.

Molecular Properties

Compound Name(3-nitrophenyl)-diphenylmethanol
PubChem CID2936242
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(3-nitrophenyl)-diphenylmethanol
SMILESO=[N+]([O-])c1cccc(C(O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H15NO3/c21-19(15-8-3-1-4-9-15,16-10-5-2-6-11-16)17-12-7-13-18(14-17)20(22)23/h1-14,21H
InChIKeyAXNDLYJGRMBDHU-UHFFFAOYSA-N
XLogP3.88
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.88
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'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

1,1-bis(3-nitrophenyl)butane-1,4-diol
CID 87319607
1-nitro-3-(trichloromethyl)benzene
CID 2777269
calcium nitrobenzene
CID 67916702
1-nitro-3-(1,1,2,2,2-pentafluoroethyl)benzene
CID 23233412
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-nitro-3-(trifluoromethyl)benzene;oxalonitrile
CID 159395487
1-(3-nitrophenoxy)-2-phenylpropan-2-ol
CID 62373825
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2,2,3,3,3-pentafluoro-1-(3-nitrophenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 162511686
2,2,3,3,3-pentafluoro-1-(2-fluorophenyl)-1-(3-nitrophenyl)propan-1-ol
CID 162511620
[1-hydroxy-1-(3-nitrophenyl)-3-trimethylsilylpropyl]phosphonic acid
CID 174390406
carbonic acid;nitrobenzene
CID 68662598

Frequently Asked Questions

What is the IUPAC name of (3-nitrophenyl)-diphenylmethanol?
The IUPAC name of (3-nitrophenyl)-diphenylmethanol (CID 2936242) is (3-nitrophenyl)-diphenylmethanol.
What is the SMILES notation for (3-nitrophenyl)-diphenylmethanol?
The canonical SMILES for (3-nitrophenyl)-diphenylmethanol is O=[N+]([O-])c1cccc(C(O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (3-nitrophenyl)-diphenylmethanol?
The InChIKey is AXNDLYJGRMBDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-19(15-8-3-1-4-9-15,16-10-5-2-6-11-16)17-12-7-13-18(14-17)20(22)23/h1-14,21H.
What are the key properties of (3-nitrophenyl)-diphenylmethanol?
(3-nitrophenyl)-diphenylmethanol has a molecular weight of 305.33 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitrophenyl)-diphenylmethanol is sourced from PubChem (CID 2936242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).