[1-[(4-nitrophenyl)methyl]indol-3-yl]methanol

C16H14N2O3 — CID 955519

IUPAC[1-[(4-nitrophenyl)methyl]indol-3-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cn2cc(CO)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O3/c19-11-13-10-17(16-4-2-1-3-15(13)16)9-12-5-7-14(8-6-12)18(20)21/h1-8,10,19H,9,11H2
InChIKeyGOYGEBMOLYKBOU-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.09
Rot. Bonds4

About [1-[(4-nitrophenyl)methyl]indol-3-yl]methanol

[1-[(4-nitrophenyl)methyl]indol-3-yl]methanol (PubChem CID 955519) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [1-[(4-nitrophenyl)methyl]indol-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-nitrophenyl)methyl]indol-3-yl]methanol
PubChem CID955519
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[1-[(4-nitrophenyl)methyl]indol-3-yl]methanol
SMILESO=[N+]([O-])c1ccc(Cn2cc(CO)c3ccccc32)cc1
InChIInChI=1S/C16H14N2O3/c19-11-13-10-17(16-4-2-1-3-15(13)16)9-12-5-7-14(8-6-12)18(20)21/h1-8,10,19H,9,11H2
InChIKeyGOYGEBMOLYKBOU-UHFFFAOYSA-N
XLogP3.09
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [1-[(4-nitrophenyl)methyl]indol-3-yl]methanol?
The IUPAC name of [1-[(4-nitrophenyl)methyl]indol-3-yl]methanol (CID 955519) is [1-[(4-nitrophenyl)methyl]indol-3-yl]methanol.
What is the SMILES notation for [1-[(4-nitrophenyl)methyl]indol-3-yl]methanol?
The canonical SMILES for [1-[(4-nitrophenyl)methyl]indol-3-yl]methanol is O=[N+]([O-])c1ccc(Cn2cc(CO)c3ccccc32)cc1.
What is the InChIKey of [1-[(4-nitrophenyl)methyl]indol-3-yl]methanol?
The InChIKey is GOYGEBMOLYKBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-11-13-10-17(16-4-2-1-3-15(13)16)9-12-5-7-14(8-6-12)18(20)21/h1-8,10,19H,9,11H2.
What are the key properties of [1-[(4-nitrophenyl)methyl]indol-3-yl]methanol?
[1-[(4-nitrophenyl)methyl]indol-3-yl]methanol has a molecular weight of 282.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-nitrophenyl)methyl]indol-3-yl]methanol is sourced from PubChem (CID 955519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).