2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol

C16H13FN2O2 — CID 11680777

IUPAC2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol
SMILESCc1c(/C=N/O)c2ccccc2n1-c1ccc(O)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-10-13(9-18-21)12-4-2-3-5-15(12)19(10)11-6-7-16(20)14(17)8-11/h2-9,20-21H,1H3/b18-9+
InChIKeyGTJKIXUWJLVLLU-GIJQJNRQSA-N
MW284.29 g/mol
LogP3.59
Rot. Bonds2

About 2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol

2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol (PubChem CID 11680777) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol
PubChem CID11680777
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol
SMILESCc1c(/C=N/O)c2ccccc2n1-c1ccc(O)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-10-13(9-18-21)12-4-2-3-5-15(12)19(10)11-6-7-16(20)14(17)8-11/h2-9,20-21H,1H3/b18-9+
InChIKeyGTJKIXUWJLVLLU-GIJQJNRQSA-N
XLogP3.59
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol?
The IUPAC name of 2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol (CID 11680777) is 2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol?
The canonical SMILES for 2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol is Cc1c(/C=N/O)c2ccccc2n1-c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol?
The InChIKey is GTJKIXUWJLVLLU-GIJQJNRQSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-10-13(9-18-21)12-4-2-3-5-15(12)19(10)11-6-7-16(20)14(17)8-11/h2-9,20-21H,1H3/b18-9+.
What are the key properties of 2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol?
2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol has a molecular weight of 284.29 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-[(E)-hydroxyiminomethyl]-2-methylindol-1-yl]phenol is sourced from PubChem (CID 11680777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).