methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate

C18H20N2O4 — CID 168531338

IUPACmethyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate
SMILESCOC(=O)c1ccc(OCCCOc2ccc(C=NN)cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-22-18(21)15-5-9-17(10-6-15)24-12-2-11-23-16-7-3-14(4-8-16)13-20-19/h3-10,13H,2,11-12,19H2,1H3
InChIKeyCCTASNVKOVMJTI-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.61
Rot. Bonds8

About methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate

methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate (PubChem CID 168531338) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate
PubChem CID168531338
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namemethyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate
SMILESCOC(=O)c1ccc(OCCCOc2ccc(C=NN)cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-22-18(21)15-5-9-17(10-6-15)24-12-2-11-23-16-7-3-14(4-8-16)13-20-19/h3-10,13H,2,11-12,19H2,1H3
InChIKeyCCTASNVKOVMJTI-UHFFFAOYSA-N
XLogP2.61
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 168536255
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CID 102441391
4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-N,N-dipropylbenzamide
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methyl 4-(4-propanoyloxybutoxy)benzoate
CID 58898433
(4-heptoxyphenyl)methylidenehydrazine
CID 168529039
methyl 4-(4-oxopentoxy)benzoate
CID 67943009
3-[4-[(4-propoxyphenyl)methylideneamino]benzoyl]oxypropyl 4-[(4-propoxyphenyl)methylideneamino]benzoate
CID 102594777
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419
(4-methoxycarbonylphenyl) 4-butoxybenzoate
CID 2833476
N,N-diethyl-4-[5-(4-methanehydrazonoylphenoxy)pentoxy]-3-methoxybenzamide
CID 67744802
methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 2303785

Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate?
The IUPAC name of methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate (CID 168531338) is methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate.
What is the SMILES notation for methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate?
The canonical SMILES for methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate is COC(=O)c1ccc(OCCCOc2ccc(C=NN)cc2)cc1.
What is the InChIKey of methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate?
The InChIKey is CCTASNVKOVMJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-22-18(21)15-5-9-17(10-6-15)24-12-2-11-23-16-7-3-14(4-8-16)13-20-19/h3-10,13H,2,11-12,19H2,1H3.
What are the key properties of methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate?
methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate has a molecular weight of 328.37 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-(4-methanehydrazonoylphenoxy)propoxy]benzoate is sourced from PubChem (CID 168531338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).