methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate

C17H15NO3 — CID 170307380

IUPACmethyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H15NO3/c1-21-17(20)11-6-13-2-7-15(8-3-13)18-12-14-4-9-16(19)10-5-14/h2-12,19H,1H3/b11-6?,18-12+
InChIKeyLROOLPPTBZKZHS-FQZLKRFRSA-N
MW281.31 g/mol
LogP3.33
Rot. Bonds4

About methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate

methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate (PubChem CID 170307380) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate
PubChem CID170307380
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Namemethyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate
SMILESCOC(=O)C=Cc1ccc(/N=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C17H15NO3/c1-21-17(20)11-6-13-2-7-15(8-3-13)18-12-14-4-9-16(19)10-5-14/h2-12,19H,1H3/b11-6?,18-12+
InChIKeyLROOLPPTBZKZHS-FQZLKRFRSA-N
XLogP3.33
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-3-[4-(hydroxyiminomethyl)phenyl]prop-2-enoate
CID 173183558
methyl (E)-3-[4-[(Z)-hydroxyiminomethyl]phenyl]prop-2-enoate
CID 87885126
methyl 3-(4-methanehydrazonoylphenyl)prop-2-enoate
CID 71365484
methyl 3-[4-[4-[[4-[[[[[[[[[(methyldiazenyl)diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]diazenyl]oxyphenyl]methylideneamino]phenyl]phenyl]prop-2-enoate
CID 131990754
3-(4-fluorophenyl)-1-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-en-1-one
CID 171147963
methyl (E)-3-(4-azidophenyl)prop-2-enoate
CID 11009012
[2-bromo-4-[(4-hydroxyphenyl)iminomethyl]-6-methoxyphenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 164824274
methyl (E)-3-(4-formylphenyl)prop-2-enoate
CID 11008713
bis[4-[(4-hydroxyphenyl)iminomethyl]phenyl] propanedioate
CID 171770387
4-[[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
CID 136693653
4-[[4-[2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]iminomethyl]phenol
CID 174598754
4-[(4-hydroxyphenyl)methylideneamino]benzoic acid
CID 2306645

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate?
The IUPAC name of methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate (CID 170307380) is methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate.
What is the SMILES notation for methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate?
The canonical SMILES for methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate is COC(=O)C=Cc1ccc(/N=C/c2ccc(O)cc2)cc1.
What is the InChIKey of methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate?
The InChIKey is LROOLPPTBZKZHS-FQZLKRFRSA-N. The full InChI is InChI=1S/C17H15NO3/c1-21-17(20)11-6-13-2-7-15(8-3-13)18-12-14-4-9-16(19)10-5-14/h2-12,19H,1H3/b11-6?,18-12+.
What are the key properties of methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate?
methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate has a molecular weight of 281.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(4-hydroxyphenyl)methylideneamino]phenyl]prop-2-enoate is sourced from PubChem (CID 170307380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).