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

C15H12BrNO2 — CID 117181944

IUPAC3-[(7-bromo-1H-indol-3-yl)methoxy]phenol
SMILESOc1cccc(OCc2c[nH]c3c(Br)cccc23)c1
InChIInChI=1S/C15H12BrNO2/c16-14-6-2-5-13-10(8-17-15(13)14)9-19-12-4-1-3-11(18)7-12/h1-8,17-18H,9H2
InChIKeyDGUFYDCYVPHHCZ-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.22
Rot. Bonds3

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

3-[(7-bromo-1H-indol-3-yl)methoxy]phenol (PubChem CID 117181944) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 3-[(7-bromo-1H-indol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name3-[(7-bromo-1H-indol-3-yl)methoxy]phenol
PubChem CID117181944
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name3-[(7-bromo-1H-indol-3-yl)methoxy]phenol
SMILESOc1cccc(OCc2c[nH]c3c(Br)cccc23)c1
InChIInChI=1S/C15H12BrNO2/c16-14-6-2-5-13-10(8-17-15(13)14)9-19-12-4-1-3-11(18)7-12/h1-8,17-18H,9H2
InChIKeyDGUFYDCYVPHHCZ-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

3-[(3-hydroxyphenoxy)methyl]-1H-indol-7-ol
CID 117181938
3-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181704
7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
CID 117181960
2-[(7-bromo-1H-indol-3-yl)methoxy]phenol
CID 117181897
3-[(5-fluoro-1H-indol-3-yl)methoxy]phenol
CID 117175120
3-[[5-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117174903
3-(phenoxymethyl)-1H-indol-7-amine
CID 117181852
3-[(2-bromo-4-methoxyphenyl)methoxy]phenol
CID 117221199
4-[[7-(aminomethyl)-1H-indol-3-yl]methoxy]phenol
CID 117181714
3-[(3-chlorophenoxy)methyl]-1H-indole-7-carboxylic acid
CID 117182144
3-(7-bromo-1H-indol-3-yl)propanenitrile
CID 76846698
3-[(2,3-difluorophenyl)methoxy]phenol
CID 43659030

Frequently Asked Questions

What is the IUPAC name of 3-[(7-bromo-1H-indol-3-yl)methoxy]phenol?
The IUPAC name of 3-[(7-bromo-1H-indol-3-yl)methoxy]phenol (CID 117181944) is 3-[(7-bromo-1H-indol-3-yl)methoxy]phenol.
What is the SMILES notation for 3-[(7-bromo-1H-indol-3-yl)methoxy]phenol?
The canonical SMILES for 3-[(7-bromo-1H-indol-3-yl)methoxy]phenol is Oc1cccc(OCc2c[nH]c3c(Br)cccc23)c1.
What is the InChIKey of 3-[(7-bromo-1H-indol-3-yl)methoxy]phenol?
The InChIKey is DGUFYDCYVPHHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-14-6-2-5-13-10(8-17-15(13)14)9-19-12-4-1-3-11(18)7-12/h1-8,17-18H,9H2.
What are the key properties of 3-[(7-bromo-1H-indol-3-yl)methoxy]phenol?
3-[(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 3-[(7-bromo-1H-indol-3-yl)methoxy]phenol is sourced from PubChem (CID 117181944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).