2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde

C18H16N2O4 — CID 18683542

IUPAC2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde
SMILESCOc1cc(-c2ccc(/N=C/C=O)c(OC)c2)ccc1/N=C/C=O
InChIInChI=1S/C18H16N2O4/c1-23-17-11-13(3-5-15(17)19-7-9-21)14-4-6-16(20-8-10-22)18(12-14)24-2/h3-12H,1-2H3/b19-7+,20-8+
InChIKeyPTUDSGOHZTZHHP-OKXCLTPOSA-N
MW324.34 g/mol
LogP3.17
Rot. Bonds7

About 2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde

2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde (PubChem CID 18683542) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde.

Molecular Properties

Compound Name2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde
PubChem CID18683542
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde
SMILESCOc1cc(-c2ccc(/N=C/C=O)c(OC)c2)ccc1/N=C/C=O
InChIInChI=1S/C18H16N2O4/c1-23-17-11-13(3-5-15(17)19-7-9-21)14-4-6-16(20-8-10-22)18(12-14)24-2/h3-12H,1-2H3/b19-7+,20-8+
InChIKeyPTUDSGOHZTZHHP-OKXCLTPOSA-N
XLogP3.17
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-(4-chloro-3-methoxyphenyl)-2-methoxybenzene
CID 800758
4-[[4-[4-[(3,4-dihydroxyphenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]benzene-1,2-diol
CID 136628846
3-(2,4-dimethoxyphenyl)imino-1-(4-methylphenyl)propan-1-one
CID 7208289
N-(2-methoxy-4-methylphenyl)-1-pyrrolidin-1-ylmethanimine
CID 90458221
2-methoxy-4-pyridin-4-ylbenzaldehyde
CID 164891675
1-(2,4-dimethoxyphenyl)-N-[4-[4-[(2,4-dimethoxyphenyl)methylideneamino]-3-methylphenyl]-2-methylphenyl]methanimine
CID 3798775
N-(2-methoxy-4-nitrophenyl)-1-pyridin-4-ylmethanimine
CID 3058440
4-(4-formylphenyl)-2-methoxybenzoic acid
CID 53225183
ethyl 2-(2,4-dimethoxyphenyl)iminoacetate
CID 101411260
3-hydroxy-N-[4-[4-[[hydroxy-(3-hydroxynaphthalen-2-yl)methylidene]amino]-3-methoxyphenyl]-2-methoxyphenyl]naphthalene-2-carboximidic acid
CID 136898811
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717
1,2-dimethoxy-4-(4-methylphenyl)benzene;ethane
CID 142094347

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde?
The IUPAC name of 2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde (CID 18683542) is 2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde.
What is the SMILES notation for 2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde?
The canonical SMILES for 2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde is COc1cc(-c2ccc(/N=C/C=O)c(OC)c2)ccc1/N=C/C=O.
What is the InChIKey of 2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde?
The InChIKey is PTUDSGOHZTZHHP-OKXCLTPOSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-23-17-11-13(3-5-15(17)19-7-9-21)14-4-6-16(20-8-10-22)18(12-14)24-2/h3-12H,1-2H3/b19-7+,20-8+.
What are the key properties of 2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde?
2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde has a molecular weight of 324.34 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxy-4-[3-methoxy-4-(2-oxoethylideneamino)phenyl]phenyl]iminoacetaldehyde is sourced from PubChem (CID 18683542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).