2-[(5-amino-1H-indol-3-yl)methoxy]phenol

C15H14N2O2 — CID 117175069

IUPAC2-[(5-amino-1H-indol-3-yl)methoxy]phenol
SMILESNc1ccc2[nH]cc(COc3ccccc3O)c2c1
InChIInChI=1S/C15H14N2O2/c16-11-5-6-13-12(7-11)10(8-17-13)9-19-15-4-2-1-3-14(15)18/h1-8,17-18H,9,16H2
InChIKeyIGGYVHAJZRJJMN-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.03
Rot. Bonds3

About 2-[(5-amino-1H-indol-3-yl)methoxy]phenol

2-[(5-amino-1H-indol-3-yl)methoxy]phenol (PubChem CID 117175069) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[(5-amino-1H-indol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(5-amino-1H-indol-3-yl)methoxy]phenol
PubChem CID117175069
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[(5-amino-1H-indol-3-yl)methoxy]phenol
SMILESNc1ccc2[nH]cc(COc3ccccc3O)c2c1
InChIInChI=1S/C15H14N2O2/c16-11-5-6-13-12(7-11)10(8-17-13)9-19-15-4-2-1-3-14(15)18/h1-8,17-18H,9,16H2
InChIKeyIGGYVHAJZRJJMN-UHFFFAOYSA-N
XLogP3.03
TPSA71.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
3-[(2-fluorophenoxy)methyl]-1H-indol-5-amine
CID 117175051
5-chloro-3-[(2-chlorophenoxy)methyl]-1H-indole
CID 117175060
2-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181897
2-(5-amino-1H-indol-3-yl)acetic acid
CID 24974925
3-[(2-fluorophenoxy)methyl]-5-methyl-1H-indole
CID 117185110
5-chloro-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117175045
2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
3-[(5-fluoro-1H-indol-3-yl)methoxy]phenol
CID 117175120
methyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 22669210
ethyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 10890233
6-methyl-3-[(2-methylphenoxy)methyl]-1H-indole
CID 117185650

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1H-indol-3-yl)methoxy]phenol?
The IUPAC name of 2-[(5-amino-1H-indol-3-yl)methoxy]phenol (CID 117175069) is 2-[(5-amino-1H-indol-3-yl)methoxy]phenol.
What is the SMILES notation for 2-[(5-amino-1H-indol-3-yl)methoxy]phenol?
The canonical SMILES for 2-[(5-amino-1H-indol-3-yl)methoxy]phenol is Nc1ccc2[nH]cc(COc3ccccc3O)c2c1.
What is the InChIKey of 2-[(5-amino-1H-indol-3-yl)methoxy]phenol?
The InChIKey is IGGYVHAJZRJJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-11-5-6-13-12(7-11)10(8-17-13)9-19-15-4-2-1-3-14(15)18/h1-8,17-18H,9,16H2.
What are the key properties of 2-[(5-amino-1H-indol-3-yl)methoxy]phenol?
2-[(5-amino-1H-indol-3-yl)methoxy]phenol has a molecular weight of 254.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-1H-indol-3-yl)methoxy]phenol is sourced from PubChem (CID 117175069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).