2-[(7-bromo-1H-indol-3-yl)methoxy]phenol

C15H12BrNO2 — CID 117181897

IUPAC2-[(7-bromo-1H-indol-3-yl)methoxy]phenol
SMILESOc1ccccc1OCc1c[nH]c2c(Br)cccc12
InChIInChI=1S/C15H12BrNO2/c16-12-5-3-4-11-10(8-17-15(11)12)9-19-14-7-2-1-6-13(14)18/h1-8,17-18H,9H2
InChIKeyIEOVHVJBUKOJMX-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.22
Rot. Bonds3

About 2-[(7-bromo-1H-indol-3-yl)methoxy]phenol

2-[(7-bromo-1H-indol-3-yl)methoxy]phenol (PubChem CID 117181897) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2-[(7-bromo-1H-indol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(7-bromo-1H-indol-3-yl)methoxy]phenol
PubChem CID117181897
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name2-[(7-bromo-1H-indol-3-yl)methoxy]phenol
SMILESOc1ccccc1OCc1c[nH]c2c(Br)cccc12
InChIInChI=1S/C15H12BrNO2/c16-12-5-3-4-11-10(8-17-15(11)12)9-19-14-7-2-1-6-13(14)18/h1-8,17-18H,9H2
InChIKeyIEOVHVJBUKOJMX-UHFFFAOYSA-N
XLogP4.22
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(7-methyl-1H-indol-3-yl)methoxy]phenol
CID 117186217
3-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181944
3-[(2-chlorophenoxy)methyl]-1H-indol-7-ol
CID 117181875
7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117181960
3-[(2-hydroxyphenoxy)methyl]-1H-indol-5-ol
CID 117175071
2-[(5-amino-1H-indol-3-yl)methoxy]phenol
CID 117175069
3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
CID 117181938
7-bromo-3-(ethylsulfanylmethyl)-1H-indole
CID 117182045
2-[(4-bromo-1-benzofuran-3-yl)methoxy]phenol
CID 117170357
3-amino-4-(7-bromo-1H-indol-3-yl)but-1-en-2-ol
CID 145142405
[(2S)-3-(7-bromo-1H-indol-3-yl)-1-ethoxy-1-oxopropan-2-yl]azanium bromide
CID 160805144
3-(7-bromo-1H-indol-3-yl)propanenitrile
CID 76846698

Frequently Asked Questions

What is the IUPAC name of 2-[(7-bromo-1H-indol-3-yl)methoxy]phenol?
The IUPAC name of 2-[(7-bromo-1H-indol-3-yl)methoxy]phenol (CID 117181897) is 2-[(7-bromo-1H-indol-3-yl)methoxy]phenol.
What is the SMILES notation for 2-[(7-bromo-1H-indol-3-yl)methoxy]phenol?
The canonical SMILES for 2-[(7-bromo-1H-indol-3-yl)methoxy]phenol is Oc1ccccc1OCc1c[nH]c2c(Br)cccc12.
What is the InChIKey of 2-[(7-bromo-1H-indol-3-yl)methoxy]phenol?
The InChIKey is IEOVHVJBUKOJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-12-5-3-4-11-10(8-17-15(11)12)9-19-14-7-2-1-6-13(14)18/h1-8,17-18H,9H2.
What are the key properties of 2-[(7-bromo-1H-indol-3-yl)methoxy]phenol?
2-[(7-bromo-1H-indol-3-yl)methoxy]phenol has a molecular weight of 318.17 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-bromo-1H-indol-3-yl)methoxy]phenol is sourced from PubChem (CID 117181897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).