7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole

C16H14BrNO — CID 117181960

IUPAC7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
SMILESCc1ccc(OCc2c[nH]c3c(Br)cccc23)cc1
InChIInChI=1S/C16H14BrNO/c1-11-5-7-13(8-6-11)19-10-12-9-18-16-14(12)3-2-4-15(16)17/h2-9,18H,10H2,1H3
InChIKeyZWFCFRAWHSYHKG-UHFFFAOYSA-N
MW316.20 g/mol
LogP4.82
Rot. Bonds3

About 7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole

7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole (PubChem CID 117181960) has the molecular formula C16H14BrNO and a molecular weight of 316.20 g/mol. Its IUPAC name is 7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
PubChem CID117181960
Molecular FormulaC16H14BrNO
Molecular Weight316.20 g/mol
Exact Mass315.03
IUPAC Name7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole
SMILESCc1ccc(OCc2c[nH]c3c(Br)cccc23)cc1
InChIInChI=1S/C16H14BrNO/c1-11-5-7-13(8-6-11)19-10-12-9-18-16-14(12)3-2-4-15(16)17/h2-9,18H,10H2,1H3
InChIKeyZWFCFRAWHSYHKG-UHFFFAOYSA-N
XLogP4.82
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole?
The IUPAC name of 7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole (CID 117181960) is 7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole.
What is the SMILES notation for 7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole?
The canonical SMILES for 7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole is Cc1ccc(OCc2c[nH]c3c(Br)cccc23)cc1.
What is the InChIKey of 7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole?
The InChIKey is ZWFCFRAWHSYHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO/c1-11-5-7-13(8-6-11)19-10-12-9-18-16-14(12)3-2-4-15(16)17/h2-9,18H,10H2,1H3.
What are the key properties of 7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole?
7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole has a molecular weight of 316.20 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-[(4-methylphenoxy)methyl]-1H-indole is sourced from PubChem (CID 117181960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).