1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone

C22H19NO2 — CID 11812637

IUPAC1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1-c1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C22H19NO2/c1-16(24)19-13-8-14-21(25-2)22(19)20-12-7-6-9-17(20)15-23-18-10-4-3-5-11-18/h3-15H,1-2H3/b23-15+
InChIKeyKTXRGYHZYVFADM-HZHRSRAPSA-N
MW329.40 g/mol
LogP5.32
Rot. Bonds5

About 1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone

1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone (PubChem CID 11812637) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone
PubChem CID11812637
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone
SMILESCOc1cccc(C(C)=O)c1-c1ccccc1/C=N/c1ccccc1
InChIInChI=1S/C22H19NO2/c1-16(24)19-13-8-14-21(25-2)22(19)20-12-7-6-9-17(20)15-23-18-10-4-3-5-11-18/h3-15H,1-2H3/b23-15+
InChIKeyKTXRGYHZYVFADM-HZHRSRAPSA-N
XLogP5.32
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-(2-methoxyphenyl)-N-phenylmethanimine
CID 176714892
3-[(2-methoxyphenyl)methylideneamino]benzoic acid
CID 961438
1-(2-methoxyphenyl)-N-phenylmethanimine;trichloroiron
CID 21342767
3-methoxy-2-(2-propan-2-yloxyphenyl)benzoic acid
CID 19594924
[4-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 1381574
1-(2-bromo-4,5-dimethoxyphenyl)-N-phenylmethanimine
CID 13212556
formaldehyde;bis(1-(2-methoxyphenyl)ethanone)
CID 174959963
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
CID 136702059
1-[3-[(2,5-dimethoxyphenyl)methylideneamino]phenyl]ethanone
CID 874944
1-[3-[(2-ethoxyphenyl)methylideneamino]phenyl]ethanone
CID 693758
methyl (Z)-3-hydroxy-3-(2-methoxyphenyl)-2-(phenyliminomethyl)prop-2-enoate
CID 166436991

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone (CID 11812637) is 1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone is COc1cccc(C(C)=O)c1-c1ccccc1/C=N/c1ccccc1.
What is the InChIKey of 1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone?
The InChIKey is KTXRGYHZYVFADM-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H19NO2/c1-16(24)19-13-8-14-21(25-2)22(19)20-12-7-6-9-17(20)15-23-18-10-4-3-5-11-18/h3-15H,1-2H3/b23-15+.
What are the key properties of 1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone?
1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-[2-(phenyliminomethyl)phenyl]phenyl]ethanone is sourced from PubChem (CID 11812637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).