4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol

C22H21N3O4 — CID 177439192

IUPAC4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol
SMILESCOc1ccc(O)c([C@H](C)c2ccc(N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)c1
InChIInChI=1S/C22H21N3O4/c1-15(21-13-20(29-2)11-12-22(21)26)17-5-7-18(8-6-17)24-23-14-16-3-9-19(10-4-16)25(27)28/h3-15,24,26H,1-2H3/b23-14+/t15-/m1/s1
InChIKeyOAGCLFPAWAVHOZ-QKIXXSFTSA-N
MW391.43 g/mol
LogP4.91
Rot. Bonds7

About 4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol

4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol (PubChem CID 177439192) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol
PubChem CID177439192
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol
SMILESCOc1ccc(O)c([C@H](C)c2ccc(N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)c1
InChIInChI=1S/C22H21N3O4/c1-15(21-13-20(29-2)11-12-22(21)26)17-5-7-18(8-6-17)24-23-14-16-3-9-19(10-4-16)25(27)28/h3-15,24,26H,1-2H3/b23-14+/t15-/m1/s1
InChIKeyOAGCLFPAWAVHOZ-QKIXXSFTSA-N
XLogP4.91
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 136913851
N-[(E)-(4-ethoxyphenyl)methylideneamino]-4-nitroaniline
CID 5332551
N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 3290260
methyl 4-[[(4-nitrophenyl)hydrazinylidene]methyl]benzoate
CID 74861828
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-4-nitroaniline
CID 6131990
2-methoxy-3-nitro-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135589413
4-methoxy-N-[(E)-(3-nitrophenyl)methylideneamino]aniline
CID 110509079
4-methyl-N-[(Z)-(4-nitrophenyl)methylideneamino]aniline
CID 5377402
4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-2-N-[(4-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3914765
N-[[4-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-nitroaniline
CID 110842153
N-[(4-nitrophenyl)methylideneamino]-4-(trifluoromethoxy)aniline
CID 67519187
N-(4-methoxyphenyl)-2-methyl-N'-[(4-nitrophenyl)methylideneamino]propanediamide
CID 3650874

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol?
The IUPAC name of 4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol (CID 177439192) is 4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol?
The canonical SMILES for 4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol is COc1ccc(O)c([C@H](C)c2ccc(N/N=C/c3ccc([N+](=O)[O-])cc3)cc2)c1.
What is the InChIKey of 4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol?
The InChIKey is OAGCLFPAWAVHOZ-QKIXXSFTSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15(21-13-20(29-2)11-12-22(21)26)17-5-7-18(8-6-17)24-23-14-16-3-9-19(10-4-16)25(27)28/h3-15,24,26H,1-2H3/b23-14+/t15-/m1/s1.
What are the key properties of 4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol?
4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol has a molecular weight of 391.43 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1R)-1-[4-[(2E)-2-[(4-nitrophenyl)methylidene]hydrazinyl]phenyl]ethyl]phenol is sourced from PubChem (CID 177439192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).