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

C18H17NO6 — CID 135595457

IUPACdimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(/N=C/c2cc(OC)ccc2O)cc(C(=O)OC)c1
InChIInChI=1S/C18H17NO6/c1-23-15-4-5-16(20)13(9-15)10-19-14-7-11(17(21)24-2)6-12(8-14)18(22)25-3/h4-10,20H,1-3H3/b19-10+
InChIKeyMZHLRHSUVFMBKL-VXLYETTFSA-N
MW343.34 g/mol
LogP2.72
Rot. Bonds5

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

dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate (PubChem CID 135595457) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
PubChem CID135595457
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Namedimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(/N=C/c2cc(OC)ccc2O)cc(C(=O)OC)c1
InChIInChI=1S/C18H17NO6/c1-23-15-4-5-16(20)13(9-15)10-19-14-7-11(17(21)24-2)6-12(8-14)18(22)25-3/h4-10,20H,1-3H3/b19-10+
InChIKeyMZHLRHSUVFMBKL-VXLYETTFSA-N
XLogP2.72
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595456
dimethyl 5-[(2-hydroxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595463
1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758537
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl] 3-(4-bromophenyl)-3-oxopropanoate
CID 135906566
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 1040051
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
4-methoxy-2-[(3-methylsulfonylphenyl)iminomethyl]phenol
CID 135855363
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]acetamide
CID 135817975

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate (CID 135595457) is dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate is COC(=O)c1cc(/N=C/c2cc(OC)ccc2O)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate?
The InChIKey is MZHLRHSUVFMBKL-VXLYETTFSA-N. The full InChI is InChI=1S/C18H17NO6/c1-23-15-4-5-16(20)13(9-15)10-19-14-7-11(17(21)24-2)6-12(8-14)18(22)25-3/h4-10,20H,1-3H3/b19-10+.
What are the key properties of dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate?
dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate has a molecular weight of 343.34 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 135595457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).