4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol

C15H15NO4S — CID 135855363

IUPAC4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/c2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C15H15NO4S/c1-20-13-6-7-15(17)11(8-13)10-16-12-4-3-5-14(9-12)21(2,18)19/h3-10,17H,1-2H3/b16-10+
InChIKeyZTKKCKRINZKEAV-MHWRWJLKSA-N
MW305.36 g/mol
LogP2.55
Rot. Bonds4

About 4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol

4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol (PubChem CID 135855363) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol
PubChem CID135855363
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Name4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol
SMILESCOc1ccc(O)c(/C=N/c2cccc(S(C)(=O)=O)c2)c1
InChIInChI=1S/C15H15NO4S/c1-20-13-6-7-15(17)11(8-13)10-16-12-4-3-5-14(9-12)21(2,18)19/h3-10,17H,1-2H3/b16-10+
InChIKeyZTKKCKRINZKEAV-MHWRWJLKSA-N
XLogP2.55
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol 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

1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
2-[(3-methylsulfonylphenyl)iminomethyl]-4-nitrophenol
CID 135855366
3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758537
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595457
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
CID 135424005
5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4850531
N,N-diethyl-5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-methylbenzenesulfonamide
CID 135757806
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 1040051
4-methoxy-2-[(4-phenylmethoxyphenyl)iminomethyl]phenol
CID 135787695

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol?
The IUPAC name of 4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol (CID 135855363) is 4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol is COc1ccc(O)c(/C=N/c2cccc(S(C)(=O)=O)c2)c1.
What is the InChIKey of 4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol?
The InChIKey is ZTKKCKRINZKEAV-MHWRWJLKSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-20-13-6-7-15(17)11(8-13)10-16-12-4-3-5-14(9-12)21(2,18)19/h3-10,17H,1-2H3/b16-10+.
What are the key properties of 4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol?
4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol has a molecular weight of 305.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135855363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).