1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole

C16H13BrFNO — CID 82792935

IUPAC1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole
SMILESCOc1ccc(Br)c(Cn2ccc3c(F)cccc32)c1
InChIInChI=1S/C16H13BrFNO/c1-20-12-5-6-14(17)11(9-12)10-19-8-7-13-15(18)3-2-4-16(13)19/h2-9H,10H2,1H3
InChIKeyVAUVHXXIDCEYJO-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.60
Rot. Bonds3

About 1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole

1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole (PubChem CID 82792935) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is 1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole.

Molecular Properties

Compound Name1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole
PubChem CID82792935
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole
SMILESCOc1ccc(Br)c(Cn2ccc3c(F)cccc32)c1
InChIInChI=1S/C16H13BrFNO/c1-20-12-5-6-14(17)11(9-12)10-19-8-7-13-15(18)3-2-4-16(13)19/h2-9H,10H2,1H3
InChIKeyVAUVHXXIDCEYJO-UHFFFAOYSA-N
XLogP4.60
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-1-[(2-bromo-5-methoxyphenyl)methyl]indole
CID 116625976
1-[(2-fluoro-4-methoxyphenyl)methyl]-4-methoxyindole
CID 102879188
1-[(2-bromo-5-methoxyphenyl)methyl]-4,6-dichloroindole
CID 103428250
1-[(2-bromo-5-methoxyphenyl)methyl]-5-methylindole
CID 116622881
2-[1-[(2-bromo-5-methoxyphenyl)methyl]pyrrol-2-yl]ethanamine
CID 66406254
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
1-[(2-bromo-5-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 65327229
1-[(4-bromophenyl)methyl]-4-fluoroindole
CID 82793563
methyl 2-[(4-fluoroindol-1-yl)methyl]benzoate
CID 82956923
4-bromo-1-[(2-methoxyphenyl)methyl]indole
CID 116626014
1-[(5-chloro-2-fluorophenyl)methyl]-4-methoxyindole
CID 103050113
1-[(2-bromo-5-methoxyphenyl)methyl]-3-propylimidazol-2-one
CID 80582220

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole?
The IUPAC name of 1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole (CID 82792935) is 1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole.
What is the SMILES notation for 1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole?
The canonical SMILES for 1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole is COc1ccc(Br)c(Cn2ccc3c(F)cccc32)c1.
What is the InChIKey of 1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole?
The InChIKey is VAUVHXXIDCEYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c1-20-12-5-6-14(17)11(9-12)10-19-8-7-13-15(18)3-2-4-16(13)19/h2-9H,10H2,1H3.
What are the key properties of 1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole?
1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole has a molecular weight of 334.19 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-methoxyphenyl)methyl]-4-fluoroindole is sourced from PubChem (CID 82792935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).