[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate

C16H13NO3 — CID 136822877

IUPAC[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(/C=N/c2ccccc2)c(O)c1
InChIInChI=1S/C16H13NO3/c1-2-16(19)20-14-9-8-12(15(18)10-14)11-17-13-6-4-3-5-7-13/h2-11,18H,1H2/b17-11+
InChIKeyZJAYDDLYOVINOH-GZTJUZNOSA-N
MW267.28 g/mol
LogP3.23
Rot. Bonds4

About [3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate

[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate (PubChem CID 136822877) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is [3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate
PubChem CID136822877
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccc(/C=N/c2ccccc2)c(O)c1
InChIInChI=1S/C16H13NO3/c1-2-16(19)20-14-9-8-12(15(18)10-14)11-17-13-6-4-3-5-7-13/h2-11,18H,1H2/b17-11+
InChIKeyZJAYDDLYOVINOH-GZTJUZNOSA-N
XLogP3.23
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 53.23
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(3-hydroxy-4-phenylphenyl) prop-2-enoate
CID 175065018
10-[3-hydroxy-4-[(4-pentoxyphenyl)iminomethyl]phenoxy]decyl prop-2-enoate
CID 136865543
CID 136504823
CID 136504823
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
[4-[(Z)-1-amino-2-(2-hydroxy-4-prop-2-enoyloxyphenyl)ethenyl]phenyl] prop-2-enoate
CID 146531864
4-[(4-anilinophenyl)iminomethyl]benzene-1,3-diol
CID 788003
2-[(4-chlorophenyl)iminomethyl]-5-phenylmethoxyphenol
CID 139088519
2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 724452
[4-[(3-chlorophenyl)iminomethyl]-3-hydroxyphenyl] 4-methoxybenzoate
CID 136694209
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201
2-[(4-chlorophenyl)iminomethyl]-5-prop-2-enoxyphenol
CID 3427479
oxido-phenylimino-(4-prop-2-enoyloxyphenyl)azanium
CID 173150466

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate?
The IUPAC name of [3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate (CID 136822877) is [3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate.
What is the SMILES notation for [3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate?
The canonical SMILES for [3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccc(/C=N/c2ccccc2)c(O)c1.
What is the InChIKey of [3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate?
The InChIKey is ZJAYDDLYOVINOH-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H13NO3/c1-2-16(19)20-14-9-8-12(15(18)10-14)11-17-13-6-4-3-5-7-13/h2-11,18H,1H2/b17-11+.
What are the key properties of [3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate?
[3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate has a molecular weight of 267.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-4-(phenyliminomethyl)phenyl] prop-2-enoate is sourced from PubChem (CID 136822877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).