dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate

C17H15NO5 — CID 135595463

IUPACdimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(/N=C/c2ccccc2O)cc(C(=O)OC)c1
InChIInChI=1S/C17H15NO5/c1-22-16(20)12-7-13(17(21)23-2)9-14(8-12)18-10-11-5-3-4-6-15(11)19/h3-10,19H,1-2H3/b18-10+
InChIKeyLOZQXOFTASEBSI-VCHYOVAHSA-N
MW313.31 g/mol
LogP2.72
Rot. Bonds4

About dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate

dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate (PubChem CID 135595463) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
PubChem CID135595463
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Namedimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(/N=C/c2ccccc2O)cc(C(=O)OC)c1
InChIInChI=1S/C17H15NO5/c1-22-16(20)12-7-13(17(21)23-2)9-14(8-12)18-10-11-5-3-4-6-15(11)19/h3-10,19H,1-2H3/b18-10+
InChIKeyLOZQXOFTASEBSI-VCHYOVAHSA-N
XLogP2.72
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595464
dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595457
dimethyl 5-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595456
methyl 4-hydroxy-3,5-bis[(2-hydroxyphenyl)iminomethyl]benzoate
CID 136845916
methyl 3-hydroxy-4-[[2-[(2-hydroxy-4-methoxycarbonylphenyl)methylideneamino]phenyl]iminomethyl]benzoate
CID 136744502
methyl 4-[(2,4-dihydroxyphenyl)methylideneamino]benzoate
CID 623233
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
methyl 2-[(2-hydroxyphenyl)methylideneamino]-1,3-benzothiazole-6-carboxylate
CID 787707
dimethyl 5-[(5-chloro-2-hydroxy-3-nitrophenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595460
dimethyl 5-[[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]benzene-1,3-dicarboxylate
CID 90486703
bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol
CID 139076652
bis[(E)-(2-hydroxyphenyl)methylideneamino] benzene-1,3-dicarboxylate
CID 177444006

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate (CID 135595463) is dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate is COC(=O)c1cc(/N=C/c2ccccc2O)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate?
The InChIKey is LOZQXOFTASEBSI-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15NO5/c1-22-16(20)12-7-13(17(21)23-2)9-14(8-12)18-10-11-5-3-4-6-15(11)19/h3-10,19H,1-2H3/b18-10+.
What are the key properties of dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate?
dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate has a molecular weight of 313.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 135595463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).