2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one

C18H15NO4 — CID 135432540

IUPAC2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
SMILESCOc1ccc(OC)c(/N=C/C2=C(O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H15NO4/c1-22-11-7-8-16(23-2)15(9-11)19-10-14-17(20)12-5-3-4-6-13(12)18(14)21/h3-10,20H,1-2H3/b19-10+
InChIKeyFHZRFLNZAGCCIY-VXLYETTFSA-N
MW309.32 g/mol
LogP3.57
Rot. Bonds4

About 2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one

2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one (PubChem CID 135432540) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
PubChem CID135432540
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
SMILESCOc1ccc(OC)c(/N=C/C2=C(O)c3ccccc3C2=O)c1
InChIInChI=1S/C18H15NO4/c1-22-11-7-8-16(23-2)15(9-11)19-10-14-17(20)12-5-3-4-6-13(12)18(14)21/h3-10,20H,1-2H3/b19-10+
InChIKeyFHZRFLNZAGCCIY-VXLYETTFSA-N
XLogP3.57
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
CID 135498573
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
N-(2,5-dimethoxyphenyl)-1-(4-methoxyphenyl)methanimine
CID 5201061
5-[(2,5-dimethoxyphenyl)iminomethyl]-6-hydroxy-1H-pyrimidine-2,4-dione
CID 3248071
4-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxy-2-(2-methoxyphenyl)isoquinolin-1-one
CID 3431171
2-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]-6-methylbenzoic acid
CID 135470507
3-hydroxy-2-(2-methoxyethyliminomethyl)inden-1-one
CID 135486242
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
3-hydroxy-2-[(4-nitrophenyl)iminomethyl]inden-1-one
CID 135403431
2-[[3-(benzylideneamino)phenyl]iminomethyl]-3-hydroxyinden-1-one
CID 170908147
methyl 5-[(2,5-dimethoxyphenyl)iminomethyl]-2-hydroxybenzoate
CID 135524534
2,4-dichloro-6-[(2,5-dimethoxyphenyl)iminomethyl]phenol
CID 710294

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one (CID 135432540) is 2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one is COc1ccc(OC)c(/N=C/C2=C(O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one?
The InChIKey is FHZRFLNZAGCCIY-VXLYETTFSA-N. The full InChI is InChI=1S/C18H15NO4/c1-22-11-7-8-16(23-2)15(9-11)19-10-14-17(20)12-5-3-4-6-13(12)18(14)21/h3-10,20H,1-2H3/b19-10+.
What are the key properties of 2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one?
2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one has a molecular weight of 309.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)iminomethyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135432540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).