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

C14H16N2O3 — CID 63576851

IUPAC2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1ccc(C)c(OCc2occc2C(=O)NN)c1
InChIInChI=1S/C14H16N2O3/c1-9-3-4-10(2)12(7-9)19-8-13-11(5-6-18-13)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyKGNWLCDYNRDNSK-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.08
Rot. Bonds4

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

2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide (PubChem CID 63576851) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
PubChem CID63576851
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1ccc(C)c(OCc2occc2C(=O)NN)c1
InChIInChI=1S/C14H16N2O3/c1-9-3-4-10(2)12(7-9)19-8-13-11(5-6-18-13)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17)
InChIKeyKGNWLCDYNRDNSK-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-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide
CID 63571060
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
3-[(2,5-dimethylphenoxy)methyl]furan-2-carbohydrazide
CID 63576692
2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63568549
2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
CID 63575233
2-[2-(2-methoxyethoxy)ethoxymethyl]furan-3-carbohydrazide
CID 104567494
methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate
CID 55512098
2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide
CID 63574643
2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 116690676
2-[(3-ethylphenoxy)methyl]furan-3-carbohydrazide
CID 55258210
2-(octoxymethyl)furan-3-carbohydrazide
CID 63574840
methyl 2-[[5-[(2,5-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanylmethyl]furan-3-carboxylate
CID 31120473

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide (CID 63576851) is 2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide is Cc1ccc(C)c(OCc2occc2C(=O)NN)c1.
What is the InChIKey of 2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is KGNWLCDYNRDNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-3-4-10(2)12(7-9)19-8-13-11(5-6-18-13)14(17)16-15/h3-7H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide?
2-[(2,5-dimethylphenoxy)methyl]furan-3-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 2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63576851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).