1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol

C19H18Cl2N2O2 — CID 3075127

IUPAC1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol
SMILESCCC(CO)/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C19H18Cl2N2O2/c1-2-12(11-24)22-10-14-13-6-3-4-9-17(13)23(19(14)25)18-15(20)7-5-8-16(18)21/h3-10,12,24-25H,2,11H2,1H3/b22-10+
InChIKeyONQHJEHFBHLASM-LSHDLFTRSA-N
MW377.27 g/mol
LogP4.83
Rot. Bonds5

About 1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol

1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol (PubChem CID 3075127) has the molecular formula C19H18Cl2N2O2 and a molecular weight of 377.27 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol
PubChem CID3075127
Molecular FormulaC19H18Cl2N2O2
Molecular Weight377.27 g/mol
Exact Mass376.07
IUPAC Name1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol
SMILESCCC(CO)/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12
InChIInChI=1S/C19H18Cl2N2O2/c1-2-12(11-24)22-10-14-13-6-3-4-9-17(13)23(19(14)25)18-15(20)7-5-8-16(18)21/h3-10,12,24-25H,2,11H2,1H3/b22-10+
InChIKeyONQHJEHFBHLASM-LSHDLFTRSA-N
XLogP4.83
TPSA57.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol?
The IUPAC name of 1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol (CID 3075127) is 1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol?
The canonical SMILES for 1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol is CCC(CO)/N=C/c1c(O)n(-c2c(Cl)cccc2Cl)c2ccccc12.
What is the InChIKey of 1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol?
The InChIKey is ONQHJEHFBHLASM-LSHDLFTRSA-N. The full InChI is InChI=1S/C19H18Cl2N2O2/c1-2-12(11-24)22-10-14-13-6-3-4-9-17(13)23(19(14)25)18-15(20)7-5-8-16(18)21/h3-10,12,24-25H,2,11H2,1H3/b22-10+.
What are the key properties of 1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol?
1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol has a molecular weight of 377.27 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-3-(1-hydroxybutan-2-yliminomethyl)indol-2-ol is sourced from PubChem (CID 3075127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).