4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide

C15H17ClN2O3 — CID 63575453

IUPAC4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1cc(Cl)cc(C)c1OCc1cc(C(=O)NN)oc1C
InChIInChI=1S/C15H17ClN2O3/c1-8-4-12(16)5-9(2)14(8)20-7-11-6-13(15(19)18-17)21-10(11)3/h4-6H,7,17H2,1-3H3,(H,18,19)
InChIKeyDHDUIQKLRWGQMJ-UHFFFAOYSA-N
MW308.77 g/mol
LogP3.04
Rot. Bonds4

About 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide

4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide (PubChem CID 63575453) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
PubChem CID63575453
Molecular FormulaC15H17ClN2O3
Molecular Weight308.77 g/mol
Exact Mass308.09
IUPAC Name4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
SMILESCc1cc(Cl)cc(C)c1OCc1cc(C(=O)NN)oc1C
InChIInChI=1S/C15H17ClN2O3/c1-8-4-12(16)5-9(2)14(8)20-7-11-6-13(15(19)18-17)21-10(11)3/h4-6H,7,17H2,1-3H3,(H,18,19)
InChIKeyDHDUIQKLRWGQMJ-UHFFFAOYSA-N
XLogP3.04
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 53.04
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

4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 55212421
4-[(4-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 65130569
4-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methoxy]benzamide
CID 63575000
4-[(2-chlorophenyl)methoxymethyl]-5-methylfuran-2-carbohydrazide
CID 63586474
4-[(2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 22685434
4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63568934
4-(hydroxymethyl)-5-methylfuran-2-carbohydrazide
CID 63576410
4-[(4-bromo-2-chloro-6-methylphenoxy)methyl]-5-methylfuran-2-carboxylic acid
CID 63416703
4-[(3-chloro-4-cyanophenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 102724819
4-[(3-ethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide
CID 63576037
5-methyl-4-[(2-propan-2-ylphenoxy)methyl]furan-2-carbohydrazide
CID 63574464
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methylfuran-2-carbohydrazide
CID 63575043

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide (CID 63575453) is 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide is Cc1cc(Cl)cc(C)c1OCc1cc(C(=O)NN)oc1C.
What is the InChIKey of 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide?
The InChIKey is DHDUIQKLRWGQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-8-4-12(16)5-9(2)14(8)20-7-11-6-13(15(19)18-17)21-10(11)3/h4-6H,7,17H2,1-3H3,(H,18,19).
What are the key properties of 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide?
4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide has a molecular weight of 308.77 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2,6-dimethylphenoxy)methyl]-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63575453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).