[4-[(6-nitroindol-1-yl)methyl]phenyl]methanol

C16H14N2O3 — CID 116621083

IUPAC[4-[(6-nitroindol-1-yl)methyl]phenyl]methanol
SMILESO=[N+]([O-])c1ccc2ccn(Cc3ccc(CO)cc3)c2c1
InChIInChI=1S/C16H14N2O3/c19-11-13-3-1-12(2-4-13)10-17-8-7-14-5-6-15(18(20)21)9-16(14)17/h1-9,19H,10-11H2
InChIKeyGCXXNVGBLHJCJA-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.09
Rot. Bonds4

About [4-[(6-nitroindol-1-yl)methyl]phenyl]methanol

[4-[(6-nitroindol-1-yl)methyl]phenyl]methanol (PubChem CID 116621083) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is [4-[(6-nitroindol-1-yl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[(6-nitroindol-1-yl)methyl]phenyl]methanol
PubChem CID116621083
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name[4-[(6-nitroindol-1-yl)methyl]phenyl]methanol
SMILESO=[N+]([O-])c1ccc2ccn(Cc3ccc(CO)cc3)c2c1
InChIInChI=1S/C16H14N2O3/c19-11-13-3-1-12(2-4-13)10-17-8-7-14-5-6-15(18(20)21)9-16(14)17/h1-9,19H,10-11H2
InChIKeyGCXXNVGBLHJCJA-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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Related Compounds

1-[(4-bromophenyl)methyl]-6-nitroindole
CID 116621093
6-chloro-1-[(4-nitrophenyl)methyl]indole
CID 116620550
1-[(3-chloro-4-fluorophenyl)methyl]-6-nitroindole
CID 103041484
1-[(3-methylphenyl)methyl]-6-nitroindole
CID 116620954
[1-[(4-nitrophenyl)methyl]indol-6-yl] acetate
CID 174506906
1-[(1-methylpyrazol-4-yl)methyl]-6-nitroindole
CID 116620956
1-[(3-bromothiophen-2-yl)methyl]-6-nitroindole
CID 116621070
4-[(5-nitroindol-1-yl)methyl]benzamide
CID 70316559
[4-[(6-aminoindol-1-yl)methyl]phenyl]methanol;hydrochloride
CID 126796353
4-[[6-(hydroxymethyl)indol-1-yl]methyl]phenol
CID 102913078
1-(6-nitroindol-1-yl)butan-2-one
CID 62039751
[1-[(4-methylphenyl)methyl]indol-6-yl]methanol
CID 28886893

Frequently Asked Questions

What is the IUPAC name of [4-[(6-nitroindol-1-yl)methyl]phenyl]methanol?
The IUPAC name of [4-[(6-nitroindol-1-yl)methyl]phenyl]methanol (CID 116621083) is [4-[(6-nitroindol-1-yl)methyl]phenyl]methanol.
What is the SMILES notation for [4-[(6-nitroindol-1-yl)methyl]phenyl]methanol?
The canonical SMILES for [4-[(6-nitroindol-1-yl)methyl]phenyl]methanol is O=[N+]([O-])c1ccc2ccn(Cc3ccc(CO)cc3)c2c1.
What is the InChIKey of [4-[(6-nitroindol-1-yl)methyl]phenyl]methanol?
The InChIKey is GCXXNVGBLHJCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-11-13-3-1-12(2-4-13)10-17-8-7-14-5-6-15(18(20)21)9-16(14)17/h1-9,19H,10-11H2.
What are the key properties of [4-[(6-nitroindol-1-yl)methyl]phenyl]methanol?
[4-[(6-nitroindol-1-yl)methyl]phenyl]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 [4-[(6-nitroindol-1-yl)methyl]phenyl]methanol is sourced from PubChem (CID 116621083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).