2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol

C21H16N2O — CID 135433888

IUPAC2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H16N2O/c24-19-13-7-4-10-16(19)14-22-21-17-11-5-6-12-18(17)23-20(21)15-8-2-1-3-9-15/h1-14,23-24H/b22-14+
InChIKeyOZEVPUSCPKKQAZ-HYARGMPZSA-N
MW312.37 g/mol
LogP5.29
Rot. Bonds3

About 2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol

2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol (PubChem CID 135433888) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol
PubChem CID135433888
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H16N2O/c24-19-13-7-4-10-16(19)14-22-21-17-11-5-6-12-18(17)23-20(21)15-8-2-1-3-9-15/h1-14,23-24H/b22-14+
InChIKeyOZEVPUSCPKKQAZ-HYARGMPZSA-N
XLogP5.29
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol?
The IUPAC name of 2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol (CID 135433888) is 2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol?
The canonical SMILES for 2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol is Oc1ccccc1/C=N/c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol?
The InChIKey is OZEVPUSCPKKQAZ-HYARGMPZSA-N. The full InChI is InChI=1S/C21H16N2O/c24-19-13-7-4-10-16(19)14-22-21-17-11-5-6-12-18(17)23-20(21)15-8-2-1-3-9-15/h1-14,23-24H/b22-14+.
What are the key properties of 2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol?
2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol has a molecular weight of 312.37 g/mol, XLogP of 5.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1H-indol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 135433888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).