2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol

C22H20N2O — CID 630074

IUPAC2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol
SMILESCCn1c2ccccc2c2cc(/C=N/c3ccc(C)cc3O)ccc21
InChIInChI=1S/C22H20N2O/c1-3-24-20-7-5-4-6-17(20)18-13-16(9-11-21(18)24)14-23-19-10-8-15(2)12-22(19)25/h4-14,25H,3H2,1-2H3/b23-14+
InChIKeyLGWKLQKBJPMCFL-OEAKJJBVSA-N
MW328.42 g/mol
LogP5.58
Rot. Bonds3

About 2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol

2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol (PubChem CID 630074) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol.

Molecular Properties

Compound Name2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol
PubChem CID630074
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol
SMILESCCn1c2ccccc2c2cc(/C=N/c3ccc(C)cc3O)ccc21
InChIInChI=1S/C22H20N2O/c1-3-24-20-7-5-4-6-17(20)18-13-16(9-11-21(18)24)14-23-19-10-8-15(2)12-22(19)25/h4-14,25H,3H2,1-2H3/b23-14+
InChIKeyLGWKLQKBJPMCFL-OEAKJJBVSA-N
XLogP5.58
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol?
The IUPAC name of 2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol (CID 630074) is 2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol.
What is the SMILES notation for 2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol?
The canonical SMILES for 2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol is CCn1c2ccccc2c2cc(/C=N/c3ccc(C)cc3O)ccc21.
What is the InChIKey of 2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol?
The InChIKey is LGWKLQKBJPMCFL-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H20N2O/c1-3-24-20-7-5-4-6-17(20)18-13-16(9-11-21(18)24)14-23-19-10-8-15(2)12-22(19)25/h4-14,25H,3H2,1-2H3/b23-14+.
What are the key properties of 2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol?
2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol has a molecular weight of 328.42 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-ethylcarbazol-3-yl)methylideneamino]-5-methylphenol is sourced from PubChem (CID 630074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).