4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol

C18H16F2N2O2 — CID 161409460

IUPAC4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol
SMILESCOc1ccc2[nH]ccc2c1F.Cn1ccc2c(F)c(O)ccc21
InChIInChI=1S/2C9H8FNO/c1-12-8-3-2-7-6(9(8)10)4-5-11-7;1-11-5-4-6-7(11)2-3-8(12)9(6)10/h2-5,11H,1H3;2-5,12H,1H3
InChIKeyVVGUOQWJLRVAEU-UHFFFAOYSA-N
MW330.33 g/mol
LogP4.34
Rot. Bonds1

About 4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol

4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol (PubChem CID 161409460) has the molecular formula C18H16F2N2O2 and a molecular weight of 330.33 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol.

Molecular Properties

Compound Name4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol
PubChem CID161409460
Molecular FormulaC18H16F2N2O2
Molecular Weight330.33 g/mol
Exact Mass330.12
IUPAC Name4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol
SMILESCOc1ccc2[nH]ccc2c1F.Cn1ccc2c(F)c(O)ccc21
InChIInChI=1S/2C9H8FNO/c1-12-8-3-2-7-6(9(8)10)4-5-11-7;1-11-5-4-6-7(11)2-3-8(12)9(6)10/h2-5,11H,1H3;2-5,12H,1H3
InChIKeyVVGUOQWJLRVAEU-UHFFFAOYSA-N
XLogP4.34
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol?
The IUPAC name of 4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol (CID 161409460) is 4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol.
What is the SMILES notation for 4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol?
The canonical SMILES for 4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol is COc1ccc2[nH]ccc2c1F.Cn1ccc2c(F)c(O)ccc21.
What is the InChIKey of 4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol?
The InChIKey is VVGUOQWJLRVAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8FNO/c1-12-8-3-2-7-6(9(8)10)4-5-11-7;1-11-5-4-6-7(11)2-3-8(12)9(6)10/h2-5,11H,1H3;2-5,12H,1H3.
What are the key properties of 4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol?
4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol has a molecular weight of 330.33 g/mol, XLogP of 4.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-1H-indole;4-fluoro-1-methylindol-5-ol is sourced from PubChem (CID 161409460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).