2-(5-amino-6-methoxy-1H-indol-2-yl)phenol

C15H14N2O2 — CID 82381422

IUPAC2-(5-amino-6-methoxy-1H-indol-2-yl)phenol
SMILESCOc1cc2[nH]c(-c3ccccc3O)cc2cc1N
InChIInChI=1S/C15H14N2O2/c1-19-15-8-12-9(6-11(15)16)7-13(17-12)10-4-2-3-5-14(10)18/h2-8,17-18H,16H2,1H3
InChIKeyNQJDEMOPWDLPFX-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.13
Rot. Bonds2

About 2-(5-amino-6-methoxy-1H-indol-2-yl)phenol

2-(5-amino-6-methoxy-1H-indol-2-yl)phenol (PubChem CID 82381422) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(5-amino-6-methoxy-1H-indol-2-yl)phenol.

Molecular Properties

Compound Name2-(5-amino-6-methoxy-1H-indol-2-yl)phenol
PubChem CID82381422
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-(5-amino-6-methoxy-1H-indol-2-yl)phenol
SMILESCOc1cc2[nH]c(-c3ccccc3O)cc2cc1N
InChIInChI=1S/C15H14N2O2/c1-19-15-8-12-9(6-11(15)16)7-13(17-12)10-4-2-3-5-14(10)18/h2-8,17-18H,16H2,1H3
InChIKeyNQJDEMOPWDLPFX-UHFFFAOYSA-N
XLogP3.13
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-6-methoxy-1H-indol-2-yl)phenol?
The IUPAC name of 2-(5-amino-6-methoxy-1H-indol-2-yl)phenol (CID 82381422) is 2-(5-amino-6-methoxy-1H-indol-2-yl)phenol.
What is the SMILES notation for 2-(5-amino-6-methoxy-1H-indol-2-yl)phenol?
The canonical SMILES for 2-(5-amino-6-methoxy-1H-indol-2-yl)phenol is COc1cc2[nH]c(-c3ccccc3O)cc2cc1N.
What is the InChIKey of 2-(5-amino-6-methoxy-1H-indol-2-yl)phenol?
The InChIKey is NQJDEMOPWDLPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-19-15-8-12-9(6-11(15)16)7-13(17-12)10-4-2-3-5-14(10)18/h2-8,17-18H,16H2,1H3.
What are the key properties of 2-(5-amino-6-methoxy-1H-indol-2-yl)phenol?
2-(5-amino-6-methoxy-1H-indol-2-yl)phenol has a molecular weight of 254.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-6-methoxy-1H-indol-2-yl)phenol is sourced from PubChem (CID 82381422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).