4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol

C22H18N2O2 — CID 137107988

IUPAC4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc(O)cc3)c2c1
InChIInChI=1S/C22H18N2O2/c1-26-18-11-12-21-19(13-18)20(14-23-16-7-9-17(25)10-8-16)22(24-21)15-5-3-2-4-6-15/h2-14,24-25H,1H3/b23-14+
InChIKeyYZWYEUINGHIPLP-OEAKJJBVSA-N
MW342.40 g/mol
LogP5.30
Rot. Bonds4

About 4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol

4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol (PubChem CID 137107988) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol.

Molecular Properties

Compound Name4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol
PubChem CID137107988
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc(O)cc3)c2c1
InChIInChI=1S/C22H18N2O2/c1-26-18-11-12-21-19(13-18)20(14-23-16-7-9-17(25)10-8-16)22(24-21)15-5-3-2-4-6-15/h2-14,24-25H,1H3/b23-14+
InChIKeyYZWYEUINGHIPLP-OEAKJJBVSA-N
XLogP5.30
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,4-dimethylphenyl)-1-(5-methoxy-2-phenyl-1H-indol-3-yl)methanimine
CID 137107411
3,5-dimethoxy-N-[(Z)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 137166777
2-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylidene]propanedinitrile
CID 23861723
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)methylideneamino]benzonitrile
CID 136996433
5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
4-acetamido-N-[(E)-(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135614167
5-methoxy-3-[(2-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 136996373
2-[(4-methoxyphenyl)iminomethyl]-1H-indol-3-ol
CID 867421
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol?
The IUPAC name of 4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol (CID 137107988) is 4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol.
What is the SMILES notation for 4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol?
The canonical SMILES for 4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol is COc1ccc2[nH]c(-c3ccccc3)c(/C=N/c3ccc(O)cc3)c2c1.
What is the InChIKey of 4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol?
The InChIKey is YZWYEUINGHIPLP-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-18-11-12-21-19(13-18)20(14-23-16-7-9-17(25)10-8-16)22(24-21)15-5-3-2-4-6-15/h2-14,24-25H,1H3/b23-14+.
What are the key properties of 4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol?
4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol has a molecular weight of 342.40 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]phenol is sourced from PubChem (CID 137107988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).