4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol

C19H18N2O2 — CID 126023499

IUPAC4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol
SMILESCOc1ccc(C/N=C/c2cccn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H18N2O2/c1-23-19-10-4-15(5-11-19)13-20-14-17-3-2-12-21(17)16-6-8-18(22)9-7-16/h2-12,14,22H,13H2,1H3/b20-14+
InChIKeyBITZULJJAWOWNW-XSFVSMFZSA-N
MW306.37 g/mol
LogP3.81
Rot. Bonds5

About 4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol

4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol (PubChem CID 126023499) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol.

Molecular Properties

Compound Name4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol
PubChem CID126023499
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol
SMILESCOc1ccc(C/N=C/c2cccn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H18N2O2/c1-23-19-10-4-15(5-11-19)13-20-14-17-3-2-12-21(17)16-6-8-18(22)9-7-16/h2-12,14,22H,13H2,1H3/b20-14+
InChIKeyBITZULJJAWOWNW-XSFVSMFZSA-N
XLogP3.81
TPSA46.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
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 4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol?
The IUPAC name of 4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol (CID 126023499) is 4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol.
What is the SMILES notation for 4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol?
The canonical SMILES for 4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol is COc1ccc(C/N=C/c2cccn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol?
The InChIKey is BITZULJJAWOWNW-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-23-19-10-4-15(5-11-19)13-20-14-17-3-2-12-21(17)16-6-8-18(22)9-7-16/h2-12,14,22H,13H2,1H3/b20-14+.
What are the key properties of 4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol?
4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol has a molecular weight of 306.37 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(4-methoxyphenyl)methyliminomethyl]pyrrol-1-yl]phenol is sourced from PubChem (CID 126023499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).