4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol

C18H16N2O — CID 50857504

IUPAC4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol
SMILESCc1cc(/C=N/c2ccc(O)cc2)cn1-c1ccccc1
InChIInChI=1S/C18H16N2O/c1-14-11-15(12-19-16-7-9-18(21)10-8-16)13-20(14)17-5-3-2-4-6-17/h2-13,21H,1H3/b19-12+
InChIKeyCNNSWHZDXGJMFN-XDHOZWIPSA-N
MW276.34 g/mol
LogP4.24
Rot. Bonds3

About 4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol

4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol (PubChem CID 50857504) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol.

Molecular Properties

Compound Name4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol
PubChem CID50857504
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol
SMILESCc1cc(/C=N/c2ccc(O)cc2)cn1-c1ccccc1
InChIInChI=1S/C18H16N2O/c1-14-11-15(12-19-16-7-9-18(21)10-8-16)13-20(14)17-5-3-2-4-6-17/h2-13,21H,1H3/b19-12+
InChIKeyCNNSWHZDXGJMFN-XDHOZWIPSA-N
XLogP4.24
TPSA37.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol?
The IUPAC name of 4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol (CID 50857504) is 4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol.
What is the SMILES notation for 4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol?
The canonical SMILES for 4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol is Cc1cc(/C=N/c2ccc(O)cc2)cn1-c1ccccc1.
What is the InChIKey of 4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol?
The InChIKey is CNNSWHZDXGJMFN-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H16N2O/c1-14-11-15(12-19-16-7-9-18(21)10-8-16)13-20(14)17-5-3-2-4-6-17/h2-13,21H,1H3/b19-12+.
What are the key properties of 4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol?
4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol has a molecular weight of 276.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1-phenylpyrrol-3-yl)methylideneamino]phenol is sourced from PubChem (CID 50857504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).