[3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate

C27H18N2O6 — CID 3262955

IUPAC[3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccc(C=NNc2ccc3ccccc3c2)c(OC(=O)c2ccco2)c1)c1ccco1
InChIInChI=1S/C27H18N2O6/c30-26(23-7-3-13-32-23)34-22-12-10-20(25(16-22)35-27(31)24-8-4-14-33-24)17-28-29-21-11-9-18-5-1-2-6-19(18)15-21/h1-17,29H
InChIKeyMDRXYJRKGOEYGE-UHFFFAOYSA-N
MW466.45 g/mol
LogP5.91
Rot. Bonds7

About [3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate

[3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (PubChem CID 3262955) has the molecular formula C27H18N2O6 and a molecular weight of 466.45 g/mol. Its IUPAC name is [3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.

Molecular Properties

Compound Name[3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
PubChem CID3262955
Molecular FormulaC27H18N2O6
Molecular Weight466.45 g/mol
Exact Mass466.12
IUPAC Name[3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate
SMILESO=C(Oc1ccc(C=NNc2ccc3ccccc3c2)c(OC(=O)c2ccco2)c1)c1ccco1
InChIInChI=1S/C27H18N2O6/c30-26(23-7-3-13-32-23)34-22-12-10-20(25(16-22)35-27(31)24-8-4-14-33-24)17-28-29-21-11-9-18-5-1-2-6-19(18)15-21/h1-17,29H
InChIKeyMDRXYJRKGOEYGE-UHFFFAOYSA-N
XLogP5.91
TPSA103.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.45
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2-chlorophenyl)iminomethyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
CID 2311799
[4-[(Z)-(naphthalen-2-ylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
CID 6266025
[2-[(E)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 7238005
[4-[(Z)-[(4-chlorophenyl)hydrazinylidene]methyl]-2-methoxyphenyl] furan-2-carboxylate
CID 6012104
[4-[(E)-(2,3-dihydro-1,4-benzodioxine-3-carbonylhydrazinylidene)methyl]-3-methoxyphenyl] furan-2-carboxylate
CID 56696821
[2-[(E)-[[2-(4-ethoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 19661038
[3-bromo-4-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
CID 1097530
[(2S)-1-(naphthalen-2-ylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7814374
4-[(naphthalen-2-ylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 3350036
[3-(4-chlorobenzoyl)oxy-4-[(2-naphthalen-2-yloxypropanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3584872
4-[(2Z)-2-[[4-(furan-2-carbonyloxy)-3-methoxyphenyl]methylidene]hydrazinyl]benzoic acid
CID 9013237
[4-bromo-2-[[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 3534483

Frequently Asked Questions

What is the IUPAC name of [3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The IUPAC name of [3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate (CID 3262955) is [3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate.
What is the SMILES notation for [3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The canonical SMILES for [3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is O=C(Oc1ccc(C=NNc2ccc3ccccc3c2)c(OC(=O)c2ccco2)c1)c1ccco1.
What is the InChIKey of [3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
The InChIKey is MDRXYJRKGOEYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O6/c30-26(23-7-3-13-32-23)34-22-12-10-20(25(16-22)35-27(31)24-8-4-14-33-24)17-28-29-21-11-9-18-5-1-2-6-19(18)15-21/h1-17,29H.
What are the key properties of [3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate?
[3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate has a molecular weight of 466.45 g/mol, XLogP of 5.91, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-2-carbonyloxy)-4-[(naphthalen-2-ylhydrazinylidene)methyl]phenyl] furan-2-carboxylate is sourced from PubChem (CID 3262955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).