1H-indol-3-yl-(4-nitrophenyl)methanol

C15H12N2O3 — CID 10265008

IUPAC1H-indol-3-yl-(4-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(C(O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H12N2O3/c18-15(10-5-7-11(8-6-10)17(19)20)13-9-16-14-4-2-1-3-12(13)14/h1-9,15-16,18H
InChIKeyXUGMGSDCRMCCII-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.16
Rot. Bonds3

About 1H-indol-3-yl-(4-nitrophenyl)methanol

1H-indol-3-yl-(4-nitrophenyl)methanol (PubChem CID 10265008) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1H-indol-3-yl-(4-nitrophenyl)methanol.

Molecular Properties

Compound Name1H-indol-3-yl-(4-nitrophenyl)methanol
PubChem CID10265008
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1H-indol-3-yl-(4-nitrophenyl)methanol
SMILESO=[N+]([O-])c1ccc(C(O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C15H12N2O3/c18-15(10-5-7-11(8-6-10)17(19)20)13-9-16-14-4-2-1-3-12(13)14/h1-9,15-16,18H
InChIKeyXUGMGSDCRMCCII-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
(S)-(4-nitrophenyl)-phenylmethanol
CID 15555304
N-[(R)-(4-fluorophenyl)-(1H-indol-3-yl)methyl]-4-nitrobenzenesulfonamide
CID 102181100
bis(4-nitrophenyl)methanol
CID 12768612
ethyl 2-cyano-3-(1H-indol-3-yl)-3-(4-nitrophenyl)propanoate
CID 102343294
3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-1-(4-nitrophenyl)propan-1-one
CID 24851301
(2R)-3-(1H-indol-3-yl)-2-[[(1S)-1-(4-nitrophenyl)ethyl]amino]propan-1-ol
CID 97322520
3-(1H-indol-3-yl)-2-methyl-N-[1-(4-nitrophenyl)ethyl]propanamide
CID 70159952
5-[2-(1H-indol-3-yl)-2-(4-nitrophenyl)ethyl]-3-methyl-4-nitro-1,2-oxazole
CID 15984566
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-nitropyridin-2-amine
CID 46817468
N-[1H-indol-3-yl(phenyl)methyl]-N-(4-methylphenyl)-4-nitrobenzamide
CID 71399212
3-(2-nitro-1-phenylethyl)-1H-indole
CID 2740778

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-yl-(4-nitrophenyl)methanol?
The IUPAC name of 1H-indol-3-yl-(4-nitrophenyl)methanol (CID 10265008) is 1H-indol-3-yl-(4-nitrophenyl)methanol.
What is the SMILES notation for 1H-indol-3-yl-(4-nitrophenyl)methanol?
The canonical SMILES for 1H-indol-3-yl-(4-nitrophenyl)methanol is O=[N+]([O-])c1ccc(C(O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 1H-indol-3-yl-(4-nitrophenyl)methanol?
The InChIKey is XUGMGSDCRMCCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-15(10-5-7-11(8-6-10)17(19)20)13-9-16-14-4-2-1-3-12(13)14/h1-9,15-16,18H.
What are the key properties of 1H-indol-3-yl-(4-nitrophenyl)methanol?
1H-indol-3-yl-(4-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-3-yl-(4-nitrophenyl)methanol is sourced from PubChem (CID 10265008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).