methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate

C24H26O7 — CID 142394288

IUPACmethyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate
SMILESCOC(=O)c1ccc(OC(=O)C2CCC(OC(=O)c3ccc(OC)cc3)CC2)cc1C
InChIInChI=1S/C24H26O7/c1-15-14-20(12-13-21(15)24(27)29-3)31-23(26)17-6-10-19(11-7-17)30-22(25)16-4-8-18(28-2)9-5-16/h4-5,8-9,12-14,17,19H,6-7,10-11H2,1-3H3
InChIKeyWHNNSHQXPLXDFD-UHFFFAOYSA-N
MW426.47 g/mol
LogP4.11
Rot. Bonds6

About methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate

methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate (PubChem CID 142394288) has the molecular formula C24H26O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate
PubChem CID142394288
Molecular FormulaC24H26O7
Molecular Weight426.47 g/mol
Exact Mass426.17
IUPAC Namemethyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate
SMILESCOC(=O)c1ccc(OC(=O)C2CCC(OC(=O)c3ccc(OC)cc3)CC2)cc1C
InChIInChI=1S/C24H26O7/c1-15-14-20(12-13-21(15)24(27)29-3)31-23(26)17-6-10-19(11-7-17)30-22(25)16-4-8-18(28-2)9-5-16/h4-5,8-9,12-14,17,19H,6-7,10-11H2,1-3H3
InChIKeyWHNNSHQXPLXDFD-UHFFFAOYSA-N
XLogP4.11
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate with MolForge

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Related Compounds

[4-[4-(4-methoxycyclohexanecarbonyl)oxycyclohexanecarbonyl]oxyphenyl] 4-methoxybenzoate
CID 163885438
4-[4-(4-methoxyphenoxy)carbonylbenzoyl]oxycyclohexane-1-carboxylic acid
CID 131982159
methyl 5-[4-(4-ethylcyclohexanecarbonyl)oxybenzoyl]oxy-2-(4-methoxybenzoyl)oxybenzoate
CID 144750274
[4-(4-phenylphenoxy)carbonylcyclohexyl] 4-phenylbenzoate
CID 20724277
[4-(4-propylphenoxy)carbonylcyclohexyl] 4-propylbenzoate
CID 21053167
(4-aminooxycarbonylcyclohexyl) 4-(4-carbamoyloxycyclohexanecarbonyl)oxybenzoate
CID 163769646
4-(4-methoxycarbonyloxybenzoyl)oxycyclohexane-1-carboxylic acid
CID 131982155
bis(4-methylphenyl) but-2-ynedioate;diphenyl but-2-ynedioate;bis([4-(4-methoxybenzoyl)oxycyclohexyl] 4-methoxybenzoate)
CID 161478119
1-O-cyclohexyl 4-O-methyl 2-methylbenzene-1,4-dicarboxylate
CID 170164863
(4-methoxyphenyl) 4-[4-(dihydroxymethyl)cyclohexanecarbonyl]oxybenzoate
CID 134467382
2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
(3,4-dimethylphenyl) 4-methoxybenzoate
CID 4928836

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate?
The IUPAC name of methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate (CID 142394288) is methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate.
What is the SMILES notation for methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate?
The canonical SMILES for methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate is COC(=O)c1ccc(OC(=O)C2CCC(OC(=O)c3ccc(OC)cc3)CC2)cc1C.
What is the InChIKey of methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate?
The InChIKey is WHNNSHQXPLXDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O7/c1-15-14-20(12-13-21(15)24(27)29-3)31-23(26)17-6-10-19(11-7-17)30-22(25)16-4-8-18(28-2)9-5-16/h4-5,8-9,12-14,17,19H,6-7,10-11H2,1-3H3.
What are the key properties of methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate?
methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate has a molecular weight of 426.47 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(4-methoxybenzoyl)oxycyclohexanecarbonyl]oxy-2-methylbenzoate is sourced from PubChem (CID 142394288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).