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

C21H16N2O2 — CID 87343577

IUPAC4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
SMILESO/N=C/c1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C21H16N2O2/c24-17-12-10-16(11-13-17)23-20-9-5-4-8-18(20)19(14-22-25)21(23)15-6-2-1-3-7-15/h1-14,24-25H/b22-14+
InChIKeyKQFGGZXCARDWLE-HYARGMPZSA-N
MW328.37 g/mol
LogP4.81
Rot. Bonds3

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

4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol (PubChem CID 87343577) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol.

Molecular Properties

Compound Name4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
PubChem CID87343577
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
SMILESO/N=C/c1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12
InChIInChI=1S/C21H16N2O2/c24-17-12-10-16(11-13-17)23-20-9-5-4-8-18(20)19(14-22-25)21(23)15-6-2-1-3-7-15/h1-14,24-25H/b22-14+
InChIKeyKQFGGZXCARDWLE-HYARGMPZSA-N
XLogP4.81
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.81
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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Related Compounds

4-[5-fluoro-3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol
CID 87343401
4-[2-(1-ethylpyrrol-2-yl)-3-(hydroxyiminomethyl)indol-1-yl]phenol
CID 173065292
4-[3-[(E)-hydroxyiminomethyl]-2-(3-methylimidazol-4-yl)indol-1-yl]phenol
CID 87343604
4-[2-[bis(ethenyl)amino]-3-(hydroxyiminomethyl)indol-1-yl]phenol
CID 143959197
N-[(1,2-diphenylindol-3-yl)methylideneamino]-N-methylmethanamine
CID 2319936
N-[(1,2-diphenylindol-3-yl)methylideneamino]benzenesulfonamide
CID 3485439
1-(4-hydroxyphenyl)-2-methylindole-3-carbaldehyde
CID 87772568
3-chloro-N-[(1,2-diphenylindol-3-yl)methylideneamino]aniline
CID 4190945
(Z)-1-(1,2-diphenylindol-3-yl)-N-(4-methylpiperazin-4-ium-1-yl)methanimine
CID 7025608
N-(2,4-dimethylphenyl)-1-(1,2-diphenylindol-3-yl)methanimine
CID 2307285
N-[(E)-(1,2-diphenylindol-3-yl)methylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 146021708
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol?
The IUPAC name of 4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol (CID 87343577) is 4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol.
What is the SMILES notation for 4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol?
The canonical SMILES for 4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol is O/N=C/c1c(-c2ccccc2)n(-c2ccc(O)cc2)c2ccccc12.
What is the InChIKey of 4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol?
The InChIKey is KQFGGZXCARDWLE-HYARGMPZSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-17-12-10-16(11-13-17)23-20-9-5-4-8-18(20)19(14-22-25)21(23)15-6-2-1-3-7-15/h1-14,24-25H/b22-14+.
What are the key properties of 4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol?
4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol has a molecular weight of 328.37 g/mol, XLogP of 4.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(E)-hydroxyiminomethyl]-2-phenylindol-1-yl]phenol is sourced from PubChem (CID 87343577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).