2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one

C17H12ClNO3 — CID 135498573

IUPAC2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
SMILESCOc1ccc(Cl)cc1/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H12ClNO3/c1-22-15-7-6-10(18)8-14(15)19-9-13-16(20)11-4-2-3-5-12(11)17(13)21/h2-9,20H,1H3/b19-9+
InChIKeyVOTZAZCRNWKGEI-DJKKODMXSA-N
MW313.74 g/mol
LogP4.22
Rot. Bonds3

About 2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one

2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one (PubChem CID 135498573) has the molecular formula C17H12ClNO3 and a molecular weight of 313.74 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
PubChem CID135498573
Molecular FormulaC17H12ClNO3
Molecular Weight313.74 g/mol
Exact Mass313.05
IUPAC Name2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one
SMILESCOc1ccc(Cl)cc1/N=C/C1=C(O)c2ccccc2C1=O
InChIInChI=1S/C17H12ClNO3/c1-22-15-7-6-10(18)8-14(15)19-9-13-16(20)11-4-2-3-5-12(11)17(13)21/h2-9,20H,1H3/b19-9+
InChIKeyVOTZAZCRNWKGEI-DJKKODMXSA-N
XLogP4.22
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]-6-methylbenzoic acid
CID 135470507
N-(5-chloro-2-methoxyphenyl)-1-(1-methylpyrrol-2-yl)methanimine
CID 126105875
3-hydroxy-2-(2-methoxyethyliminomethyl)inden-1-one
CID 135486242
N-(5-chloro-2-methoxyphenyl)-1-(5-methyl-1-phenylpyrrol-2-yl)methanimine
CID 50856568
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523
3-hydroxy-2-[(4-nitrophenyl)iminomethyl]inden-1-one
CID 135403431
2-[[3-(benzylideneamino)phenyl]iminomethyl]-3-hydroxyinden-1-one
CID 170908147
2-[[4-chloro-3-(trifluoromethyl)phenyl]iminomethyl]-3-hydroxyinden-1-one
CID 135427639
3-hydroxy-2-[[6-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-benzodioxol-5-yl]iminomethyl]inden-1-one
CID 135526879
1-(2,4-dichlorophenyl)-N-(2-methoxy-5-nitrophenyl)methanimine
CID 3520188
2-[N-(4-chloro-2,5-dimethoxyphenyl)-C-methylcarbonimidoyl]-3-hydroxyinden-1-one
CID 135438310
4-[(1-hydroxy-3-oxoinden-2-yl)methylideneamino]benzenesulfonamide
CID 135456482

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one (CID 135498573) is 2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one is COc1ccc(Cl)cc1/N=C/C1=C(O)c2ccccc2C1=O.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one?
The InChIKey is VOTZAZCRNWKGEI-DJKKODMXSA-N. The full InChI is InChI=1S/C17H12ClNO3/c1-22-15-7-6-10(18)8-14(15)19-9-13-16(20)11-4-2-3-5-12(11)17(13)21/h2-9,20H,1H3/b19-9+.
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one?
2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one has a molecular weight of 313.74 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)iminomethyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135498573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).