bis(4-nitrophenyl)methanol

C13H10N2O5 — CID 12768612

IUPACbis(4-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(C(O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C13H10N2O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-8,13,16H
InChIKeyBRSIMNXQUKBQOS-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.58
Rot. Bonds4

About bis(4-nitrophenyl)methanol

bis(4-nitrophenyl)methanol (PubChem CID 12768612) has the molecular formula C13H10N2O5 and a molecular weight of 274.23 g/mol. Its IUPAC name is bis(4-nitrophenyl)methanol.

Molecular Properties

Compound Namebis(4-nitrophenyl)methanol
PubChem CID12768612
Molecular FormulaC13H10N2O5
Molecular Weight274.23 g/mol
Exact Mass274.06
IUPAC Namebis(4-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(C(O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C13H10N2O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-8,13,16H
InChIKeyBRSIMNXQUKBQOS-UHFFFAOYSA-N
XLogP2.58
TPSA106.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
(3,4-dimethoxyphenyl)-(4-nitrophenyl)methanol
CID 91678450
(R)-(4-nitrophenyl)-[4-tri(propan-2-yl)silyloxyphenyl]methanol
CID 11761216
(1R)-1,2-bis(4-nitrophenyl)ethanol
CID 7046140
1-(difluoromethyl)-4-nitrobenzene
CID 640443
[nitrooxy-(4-nitrophenyl)methyl] nitrate
CID 15731305
2,2-bis(4-nitrophenyl)acetic acid
CID 12768595
1-amino-1-(4-nitrophenyl)propan-2-ol
CID 55268505
2-nitro-1-(4-nitrophenyl)propane-1,3-diol
CID 13468905
(4-aminophenyl)-phenylmethanol;(4-aminophenyl)-phenylmethanone;(4-nitrophenyl)-phenylmethanone
CID 157315680
1-(4-nitrophenyl)-4-[1,2,2-tris[4-(4-nitrophenyl)phenyl]ethyl]benzene
CID 164575801
3-hydroxy-3-(4-nitrophenyl)propanenitrile
CID 11735665

Frequently Asked Questions

What is the IUPAC name of bis(4-nitrophenyl)methanol?
The IUPAC name of bis(4-nitrophenyl)methanol (CID 12768612) is bis(4-nitrophenyl)methanol.
What is the SMILES notation for bis(4-nitrophenyl)methanol?
The canonical SMILES for bis(4-nitrophenyl)methanol is O=[N+]([O-])c1ccc(C(O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of bis(4-nitrophenyl)methanol?
The InChIKey is BRSIMNXQUKBQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O5/c16-13(9-1-5-11(6-2-9)14(17)18)10-3-7-12(8-4-10)15(19)20/h1-8,13,16H.
What are the key properties of bis(4-nitrophenyl)methanol?
bis(4-nitrophenyl)methanol has a molecular weight of 274.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-nitrophenyl)methanol is sourced from PubChem (CID 12768612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).