2-methyl-3-nitro-1-phenylindol-6-ol

C15H12N2O3 — CID 792632

IUPAC2-methyl-3-nitro-1-phenylindol-6-ol
SMILESCc1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1
InChIInChI=1S/C15H12N2O3/c1-10-15(17(19)20)13-8-7-12(18)9-14(13)16(10)11-5-3-2-4-6-11/h2-9,18H,1H3
InChIKeyXDPAIPMOMWBKEL-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.55
Rot. Bonds2

About 2-methyl-3-nitro-1-phenylindol-6-ol

2-methyl-3-nitro-1-phenylindol-6-ol (PubChem CID 792632) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-methyl-3-nitro-1-phenylindol-6-ol.

Molecular Properties

Compound Name2-methyl-3-nitro-1-phenylindol-6-ol
PubChem CID792632
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-methyl-3-nitro-1-phenylindol-6-ol
SMILESCc1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1
InChIInChI=1S/C15H12N2O3/c1-10-15(17(19)20)13-8-7-12(18)9-14(13)16(10)11-5-3-2-4-6-11/h2-9,18H,1H3
InChIKeyXDPAIPMOMWBKEL-UHFFFAOYSA-N
XLogP3.55
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.55
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 2-methyl-3-nitro-1-phenylindol-6-ol?
The IUPAC name of 2-methyl-3-nitro-1-phenylindol-6-ol (CID 792632) is 2-methyl-3-nitro-1-phenylindol-6-ol.
What is the SMILES notation for 2-methyl-3-nitro-1-phenylindol-6-ol?
The canonical SMILES for 2-methyl-3-nitro-1-phenylindol-6-ol is Cc1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-3-nitro-1-phenylindol-6-ol?
The InChIKey is XDPAIPMOMWBKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-10-15(17(19)20)13-8-7-12(18)9-14(13)16(10)11-5-3-2-4-6-11/h2-9,18H,1H3.
What are the key properties of 2-methyl-3-nitro-1-phenylindol-6-ol?
2-methyl-3-nitro-1-phenylindol-6-ol has a molecular weight of 268.27 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-1-phenylindol-6-ol is sourced from PubChem (CID 792632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).