4-[(7-bromo-1H-indol-2-yl)methoxy]phenol

C15H12BrNO2 — CID 117183729

IUPAC4-[(7-bromo-1H-indol-2-yl)methoxy]phenol
SMILESOc1ccc(OCc2cc3cccc(Br)c3[nH]2)cc1
InChIInChI=1S/C15H12BrNO2/c16-14-3-1-2-10-8-11(17-15(10)14)9-19-13-6-4-12(18)5-7-13/h1-8,17-18H,9H2
InChIKeyZMFPLCPNVCWLFI-UHFFFAOYSA-N
MW318.17 g/mol
LogP4.22
Rot. Bonds3

About 4-[(7-bromo-1H-indol-2-yl)methoxy]phenol

4-[(7-bromo-1H-indol-2-yl)methoxy]phenol (PubChem CID 117183729) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is 4-[(7-bromo-1H-indol-2-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(7-bromo-1H-indol-2-yl)methoxy]phenol
PubChem CID117183729
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name4-[(7-bromo-1H-indol-2-yl)methoxy]phenol
SMILESOc1ccc(OCc2cc3cccc(Br)c3[nH]2)cc1
InChIInChI=1S/C15H12BrNO2/c16-14-3-1-2-10-8-11(17-15(10)14)9-19-13-6-4-12(18)5-7-13/h1-8,17-18H,9H2
InChIKeyZMFPLCPNVCWLFI-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

7-bromo-2-[(2-methylphenoxy)methyl]-1H-indole
CID 117183604
7-fluoro-2-[(4-methylphenoxy)methyl]-1H-indole
CID 117183696
2-[(3-methoxyphenoxy)methyl]-1H-indol-7-ol
CID 117183677
4-[(2-bromophenyl)methoxy]phenol
CID 43143380
4-[(5-methyl-1H-indol-2-yl)methoxy]phenol
CID 117185406
2-[(3-hydroxyphenoxy)methyl]-1H-indol-6-ol
CID 117180212
2-[(3-methylphenoxy)methyl]-1H-indol-7-amine
CID 117183647
[2-[(3-methylphenoxy)methyl]-1H-indol-7-yl]methanamine
CID 117183434
2-[[4-(trifluoromethyl)phenoxy]methyl]-1H-indol-5-ol
CID 117176788
3,8-dibromo-1H-quinolin-2-one
CID 91465059
2-[(4-bromophenoxy)methyl]-1-benzofuran-7-ol
CID 117182831
2-(aminomethyl)-1H-indol-7-ol
CID 82596264

Frequently Asked Questions

What is the IUPAC name of 4-[(7-bromo-1H-indol-2-yl)methoxy]phenol?
The IUPAC name of 4-[(7-bromo-1H-indol-2-yl)methoxy]phenol (CID 117183729) is 4-[(7-bromo-1H-indol-2-yl)methoxy]phenol.
What is the SMILES notation for 4-[(7-bromo-1H-indol-2-yl)methoxy]phenol?
The canonical SMILES for 4-[(7-bromo-1H-indol-2-yl)methoxy]phenol is Oc1ccc(OCc2cc3cccc(Br)c3[nH]2)cc1.
What is the InChIKey of 4-[(7-bromo-1H-indol-2-yl)methoxy]phenol?
The InChIKey is ZMFPLCPNVCWLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-14-3-1-2-10-8-11(17-15(10)14)9-19-13-6-4-12(18)5-7-13/h1-8,17-18H,9H2.
What are the key properties of 4-[(7-bromo-1H-indol-2-yl)methoxy]phenol?
4-[(7-bromo-1H-indol-2-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 4-[(7-bromo-1H-indol-2-yl)methoxy]phenol is sourced from PubChem (CID 117183729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).