[(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate

C14H16FNO3 — CID 135566317

IUPAC[(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
SMILESO=C(O/N=C/c1ccc(O)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H16FNO3/c15-12-8-10(6-7-13(12)17)9-16-19-14(18)11-4-2-1-3-5-11/h6-9,11,17H,1-5H2/b16-9+
InChIKeyNPVNUGQNVVMJJP-CXUHLZMHSA-N
MW265.28 g/mol
LogP2.99
Rot. Bonds3

About [(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate

[(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate (PubChem CID 135566317) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is [(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate.

Molecular Properties

Compound Name[(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
PubChem CID135566317
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name[(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
SMILESO=C(O/N=C/c1ccc(O)c(F)c1)C1CCCCC1
InChIInChI=1S/C14H16FNO3/c15-12-8-10(6-7-13(12)17)9-16-19-14(18)11-4-2-1-3-5-11/h6-9,11,17H,1-5H2/b16-9+
InChIKeyNPVNUGQNVVMJJP-CXUHLZMHSA-N
XLogP2.99
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate
CID 135616914
4-Hydroxybenzaldehyde O-(3,3-dimethylbutanoyl)oxime
CID 135908260
(4Z)-4-(4-hydroxybenzylidene)-3-phenyl-1,2-oxazol-5(4H)-one
CID 1796231
4-hydroxybenzaldehyde O-benzoyloxime
CID 135572086
[(E)-(4-hydroxyphenyl)methylideneamino] cyclopentanecarboxylate
CID 135616913
4-Hydroxybenzaldehyde O-(cyclohexylcarbonyl)oxime
CID 135566316
[(E)-(4-hydroxyphenyl)methylideneamino] 3-cyclohexylpropanoate
CID 136036578
[(E)-(4-hydroxyphenyl)methylideneamino] cyclohex-3-ene-1-carboxylate
CID 136036584
[(E)-(4-hydroxyphenyl)methylideneamino] 3-methylbutanoate
CID 136036586
3-[(E)-(3,5-difluorophenoxy)iminomethyl]benzoic acid
CID 11219637
[(E)-(4-hydroxyphenyl)methylideneamino] cyclobutanecarboxylate
CID 135616912
4-[(E)-benzylideneamino]oxybenzoic acid
CID 11172521

Frequently Asked Questions

What is the IUPAC name of [(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate?
The IUPAC name of [(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate (CID 135566317) is [(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate.
What is the SMILES notation for [(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate?
The canonical SMILES for [(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate is O=C(O/N=C/c1ccc(O)c(F)c1)C1CCCCC1.
What is the InChIKey of [(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate?
The InChIKey is NPVNUGQNVVMJJP-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H16FNO3/c15-12-8-10(6-7-13(12)17)9-16-19-14(18)11-4-2-1-3-5-11/h6-9,11,17H,1-5H2/b16-9+.
What are the key properties of [(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate?
[(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate has a molecular weight of 265.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-fluoro-4-hydroxyphenyl)methylideneamino] cyclohexanecarboxylate is sourced from PubChem (CID 135566317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).