ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate

C18H19NO4 — CID 91480129

IUPACethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(/C=N/c1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO4/c1-3-23-18(21)17(13-4-10-16(22-2)11-5-13)12-19-14-6-8-15(20)9-7-14/h4-12,17,20H,3H2,1-2H3/b19-12+
InChIKeyIFQXGAWWFPTRSU-XDHOZWIPSA-N
MW313.35 g/mol
LogP3.45
Rot. Bonds6

About ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate

ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate (PubChem CID 91480129) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate
PubChem CID91480129
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate
SMILESCCOC(=O)C(/C=N/c1ccc(O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C18H19NO4/c1-3-23-18(21)17(13-4-10-16(22-2)11-5-13)12-19-14-6-8-15(20)9-7-14/h4-12,17,20H,3H2,1-2H3/b19-12+
InChIKeyIFQXGAWWFPTRSU-XDHOZWIPSA-N
XLogP3.45
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-{[(E)-(4-methoxyphenyl)methylidene]amino}phenyl)acetic acid
CID 4155321
Pentanoic acid, 4-[[[4-[[(pentyloxy)carbonyl]oxy]phenyl]imino]methyl]phenyl ester
CID 3084908
[4-[(4-Methoxyphenyl)methylideneamino]phenyl] 2-[4-(2-methylpropyl)phenyl]propanoate
CID 57396459
2-{1-[(4-Methoxyphenyl)amino]propylidene}-5-phenyl-1,3-cyclohexanedione
CID 135441996
ethyl (Z)-2-[(4-ethoxyphenyl)iminomethyl]-3-(4-fluorophenyl)-3-hydroxyprop-2-enoate
CID 136036598
Ethyl 3-(2-fluorophenyl)imino-2-(4-methoxyphenyl)propanoate
CID 90704996
Ethyl 3-(2,4-difluorophenyl)imino-2-(4-methoxyphenyl)propanoate
CID 90898836
Ethyl 3-(4-fluorophenyl)imino-2-(4-methoxyphenyl)propanoate
CID 91073552
2-{[(4-Methoxyphenyl)amino]methylene}-5-phenyl-1,3-cyclohexanedione
CID 135438920
4-[(1E)-2-(4-ethoxyphenyl)-2-azavinyl]benzoic acid
CID 43836026
Ethyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 92011144
Methyl 2-(4-methoxyphenyl)-2-(4-methoxyphenyl)iminoacetate
CID 102027498

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate (CID 91480129) is ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate is CCOC(=O)C(/C=N/c1ccc(O)cc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate?
The InChIKey is IFQXGAWWFPTRSU-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H19NO4/c1-3-23-18(21)17(13-4-10-16(22-2)11-5-13)12-19-14-6-8-15(20)9-7-14/h4-12,17,20H,3H2,1-2H3/b19-12+.
What are the key properties of ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate?
ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate has a molecular weight of 313.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxyphenyl)imino-2-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 91480129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).