4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol

C17H15ClN2O — CID 5217426

IUPAC4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H15ClN2O/c18-14-5-6-17(21)13(9-14)10-19-8-7-12-11-20-16-4-2-1-3-15(12)16/h1-6,9-11,20-21H,7-8H2/b19-10+
InChIKeyYDECGWOMNGFHHP-VXLYETTFSA-N
MW298.77 g/mol
LogP4.19
Rot. Bonds4

About 4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol

4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol (PubChem CID 5217426) has the molecular formula C17H15ClN2O and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol
PubChem CID5217426
Molecular FormulaC17H15ClN2O
Molecular Weight298.77 g/mol
Exact Mass298.09
IUPAC Name4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol
SMILESOc1ccc(Cl)cc1/C=N/CCc1c[nH]c2ccccc12
InChIInChI=1S/C17H15ClN2O/c18-14-5-6-17(21)13(9-14)10-19-8-7-12-11-20-16-4-2-1-3-15(12)16/h1-6,9-11,20-21H,7-8H2/b19-10+
InChIKeyYDECGWOMNGFHHP-VXLYETTFSA-N
XLogP4.19
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 54.19
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 4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol?
The IUPAC name of 4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol (CID 5217426) is 4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol is Oc1ccc(Cl)cc1/C=N/CCc1c[nH]c2ccccc12.
What is the InChIKey of 4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol?
The InChIKey is YDECGWOMNGFHHP-VXLYETTFSA-N. The full InChI is InChI=1S/C17H15ClN2O/c18-14-5-6-17(21)13(9-14)10-19-8-7-12-11-20-16-4-2-1-3-15(12)16/h1-6,9-11,20-21H,7-8H2/b19-10+.
What are the key properties of 4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol?
4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol has a molecular weight of 298.77 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(1H-indol-3-yl)ethyliminomethyl]phenol is sourced from PubChem (CID 5217426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).