4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol

C21H15FN2O2 — CID 87343401

IUPAC4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
SMILESO/N=C/c1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccc(F)cc12
InChIInChI=1S/C21H15FN2O2/c22-15-6-11-20-18(12-15)19(13-23-26)21(14-4-2-1-3-5-14)24(20)16-7-9-17(25)10-8-16/h1-13,25-26H/b23-13+
InChIKeyDXXNMCJFUURACJ-YDZHTSKRSA-N
MW346.36 g/mol
LogP4.95
Rot. Bonds3

About 4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol

4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol (PubChem CID 87343401) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
PubChem CID87343401
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
SMILESO/N=C/c1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccc(F)cc12
InChIInChI=1S/C21H15FN2O2/c22-15-6-11-20-18(12-15)19(13-23-26)21(14-4-2-1-3-5-14)24(20)16-7-9-17(25)10-8-16/h1-13,25-26H/b23-13+
InChIKeyDXXNMCJFUURACJ-YDZHTSKRSA-N
XLogP4.95
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.95
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 4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol?
The IUPAC name of 4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol (CID 87343401) is 4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol.
What is the SMILES notation for 4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol?
The canonical SMILES for 4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol is O/N=C/c1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccc(F)cc12.
What is the InChIKey of 4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol?
The InChIKey is DXXNMCJFUURACJ-YDZHTSKRSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-15-6-11-20-18(12-15)19(13-23-26)21(14-4-2-1-3-5-14)24(20)16-7-9-17(25)10-8-16/h1-13,25-26H/b23-13+.
What are the key properties of 4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol?
4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol has a molecular weight of 346.36 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol is sourced from PubChem (CID 87343401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).