2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide

C16H20N2O3 — CID 63571060

IUPAC2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1ccc(C(C)C)cc1OCc1occc1C(=O)NN
InChIInChI=1S/C16H20N2O3/c1-10(2)12-5-4-11(3)14(8-12)21-9-15-13(6-7-20-15)16(19)18-17/h4-8,10H,9,17H2,1-3H3,(H,18,19)
InChIKeyBFABARRVQNWVRT-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.89
Rot. Bonds5

About 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide

2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide (PubChem CID 63571060) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide
PubChem CID63571060
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide
SMILESCc1ccc(C(C)C)cc1OCc1occc1C(=O)NN
InChIInChI=1S/C16H20N2O3/c1-10(2)12-5-4-11(3)14(8-12)21-9-15-13(6-7-20-15)16(19)18-17/h4-8,10H,9,17H2,1-3H3,(H,18,19)
InChIKeyBFABARRVQNWVRT-UHFFFAOYSA-N
XLogP2.89
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.89
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

methyl 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carboxylate
CID 55512098
2-[(2,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63576851
2-[(5-cyano-2-methylphenoxy)methyl]furan-3-carbohydrazide
CID 107661566
2-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-3-carbohydrazide
CID 63568549
2-[2-(2-methoxyethoxy)ethoxymethyl]furan-3-carbohydrazide
CID 104567494
2-[(3-chloro-2-fluorophenoxy)methyl]furan-3-carbohydrazide
CID 116690676
2-[(2-bromo-4-chlorophenoxy)methyl]furan-3-carbohydrazide
CID 63574643
2-[(2-chloro-4-cyanophenoxy)methyl]furan-3-carbohydrazide
CID 63575233
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan
CID 59709312
2-[(3-ethylphenoxy)methyl]furan-3-carbohydrazide
CID 55258210
5-[(2-methyl-5-propan-2-ylphenoxy)methyl]oxolane-2-carbohydrazide
CID 63568562
3,3-dimethyl-1-(2-methyl-5-propan-2-ylphenoxy)butan-2-one
CID 60623601

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide?
The IUPAC name of 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide (CID 63571060) is 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide.
What is the SMILES notation for 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide?
The canonical SMILES for 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide is Cc1ccc(C(C)C)cc1OCc1occc1C(=O)NN.
What is the InChIKey of 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide?
The InChIKey is BFABARRVQNWVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)12-5-4-11(3)14(8-12)21-9-15-13(6-7-20-15)16(19)18-17/h4-8,10H,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide?
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide has a molecular weight of 288.35 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-5-propan-2-ylphenoxy)methyl]furan-3-carbohydrazide is sourced from PubChem (CID 63571060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).