1H-indol-2-yl-(2-nitrophenyl)methanol

C15H12N2O3 — CID 71725879

IUPAC1H-indol-2-yl-(2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccccc1C(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O3/c18-15(11-6-2-4-8-14(11)17(19)20)13-9-10-5-1-3-7-12(10)16-13/h1-9,15-16,18H
InChIKeyPZMJMUAXGXTTON-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.16
Rot. Bonds3

About 1H-indol-2-yl-(2-nitrophenyl)methanol

1H-indol-2-yl-(2-nitrophenyl)methanol (PubChem CID 71725879) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1H-indol-2-yl-(2-nitrophenyl)methanol.

Molecular Properties

Compound Name1H-indol-2-yl-(2-nitrophenyl)methanol
PubChem CID71725879
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1H-indol-2-yl-(2-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccccc1C(O)c1cc2ccccc2[nH]1
InChIInChI=1S/C15H12N2O3/c18-15(11-6-2-4-8-14(11)17(19)20)13-9-10-5-1-3-7-12(10)16-13/h1-9,15-16,18H
InChIKeyPZMJMUAXGXTTON-UHFFFAOYSA-N
XLogP3.16
TPSA79.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.16
H-Bond Donors ≤ 52
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

(S)-1H-indol-3-yl-(2-nitrophenyl)methanol
CID 101411008
2-hydroxy-2-(1H-indol-2-yl)acetate
CID 19833059
(2-nitrophenyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 45103211
1-(dibromomethyl)-2-nitrobenzene
CID 11066341
2-[(1S)-1-(2-methoxyphenyl)-2-nitroethyl]-1H-indole
CID 135007248
1-(2-nitrophenyl)propane-1,2,3-triol
CID 68901921
(1S,2S)-1-amino-1-(2-nitrophenyl)propan-2-ol
CID 55270082
(R)-(2-nitrophenyl)-pyridin-2-ylmethanol
CID 98041201
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586
1-(2-nitrophenyl)propane-1,2-diol
CID 10943439
2,2,2-trichloro-1-(2-nitrophenyl)ethanol
CID 11207975
1H-indol-2-yl-(3-methylphenyl)methanol
CID 102056377

Frequently Asked Questions

What is the IUPAC name of 1H-indol-2-yl-(2-nitrophenyl)methanol?
The IUPAC name of 1H-indol-2-yl-(2-nitrophenyl)methanol (CID 71725879) is 1H-indol-2-yl-(2-nitrophenyl)methanol.
What is the SMILES notation for 1H-indol-2-yl-(2-nitrophenyl)methanol?
The canonical SMILES for 1H-indol-2-yl-(2-nitrophenyl)methanol is O=[N+]([O-])c1ccccc1C(O)c1cc2ccccc2[nH]1.
What is the InChIKey of 1H-indol-2-yl-(2-nitrophenyl)methanol?
The InChIKey is PZMJMUAXGXTTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(11-6-2-4-8-14(11)17(19)20)13-9-10-5-1-3-7-12(10)16-13/h1-9,15-16,18H.
What are the key properties of 1H-indol-2-yl-(2-nitrophenyl)methanol?
1H-indol-2-yl-(2-nitrophenyl)methanol has a molecular weight of 268.27 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-2-yl-(2-nitrophenyl)methanol is sourced from PubChem (CID 71725879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).