3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide

C14H16N2O3 — CID 63576692

IUPAC3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide
SMILESCc1ccc(C)c(OCc2ccoc2C(=O)NN)c1
InChIInChI=1S/C14H16N2O3/c1-9-3-4-10(2)12(7-9)19-8-11-5-6-18-13(11)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyCGHACJVTIHKBLU-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.08
Rot. Bonds4

About 3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide

3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide (PubChem CID 63576692) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide.

Molecular Properties

Compound Name3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide
PubChem CID63576692
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide
SMILESCc1ccc(C)c(OCc2ccoc2C(=O)NN)c1
InChIInChI=1S/C14H16N2O3/c1-9-3-4-10(2)12(7-9)19-8-11-5-6-18-13(11)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyCGHACJVTIHKBLU-UHFFFAOYSA-N
XLogP2.08
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63576851
3-[(4-cyano-2,6-dimethylphenoxy)methyl]furan-2-carbohydrazide
CID 65472904
3-[(2-ethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63575637
3-[(3-methyl-2-nitrophenoxy)methyl]furan-2-carbohydrazide
CID 63570159
3-[(4-ethyl-2-methoxyphenoxy)methyl]furan-2-carbohydrazide
CID 107668802
3-[(5-chloro-2-cyanophenoxy)methyl]furan-2-carbohydrazide
CID 114324023
3-(propan-2-yloxymethyl)furan-2-carbohydrazide
CID 63576965
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
methyl 3-[(2,5-dimethylbenzoyl)oxymethyl]furan-2-carboxylate
CID 55458733
N-[2-(2,5-dimethylphenyl)propyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 42931673
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetohydrazide
CID 86584675

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide?
The IUPAC name of 3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide (CID 63576692) is 3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide.
What is the SMILES notation for 3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide?
The canonical SMILES for 3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide is Cc1ccc(C)c(OCc2ccoc2C(=O)NN)c1.
What is the InChIKey of 3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide?
The InChIKey is CGHACJVTIHKBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-3-4-10(2)12(7-9)19-8-11-5-6-18-13(11)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide?
3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide has a molecular weight of 260.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide is sourced from PubChem (CID 63576692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).