methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate

C17H17NO5 — CID 10380973

IUPACmethyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(/N=C/c2cc(OC)ccc2OC)ccc1O
InChIInChI=1S/C17H17NO5/c1-21-13-5-7-16(22-2)11(8-13)10-18-12-4-6-15(19)14(9-12)17(20)23-3/h4-10,19H,1-3H3/b18-10+
InChIKeyNXHOBVAJCSTTHA-VCHYOVAHSA-N
MW315.33 g/mol
LogP2.95
Rot. Bonds5

About methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate

methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate (PubChem CID 10380973) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate
PubChem CID10380973
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Namemethyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate
SMILESCOC(=O)c1cc(/N=C/c2cc(OC)ccc2OC)ccc1O
InChIInChI=1S/C17H17NO5/c1-21-13-5-7-16(22-2)11(8-13)10-18-12-4-6-15(19)14(9-12)17(20)23-3/h4-10,19H,1-3H3/b18-10+
InChIKeyNXHOBVAJCSTTHA-VCHYOVAHSA-N
XLogP2.95
TPSA77.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate?
The IUPAC name of methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate (CID 10380973) is methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate.
What is the SMILES notation for methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate?
The canonical SMILES for methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate is COC(=O)c1cc(/N=C/c2cc(OC)ccc2OC)ccc1O.
What is the InChIKey of methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate?
The InChIKey is NXHOBVAJCSTTHA-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H17NO5/c1-21-13-5-7-16(22-2)11(8-13)10-18-12-4-6-15(19)14(9-12)17(20)23-3/h4-10,19H,1-3H3/b18-10+.
What are the key properties of methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate?
methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate has a molecular weight of 315.33 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2,5-dimethoxyphenyl)methylideneamino]-2-hydroxybenzoate is sourced from PubChem (CID 10380973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).