(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate

C17H16O6 — CID 14534505

IUPAC(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
SMILESCCOc1ccc(OC(=O)c2ccc(OC(=O)OC)cc2)cc1
InChIInChI=1S/C17H16O6/c1-3-21-13-8-10-14(11-9-13)22-16(18)12-4-6-15(7-5-12)23-17(19)20-2/h4-11H,3H2,1-2H3
InChIKeyINRSYFXBODQZAB-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.45
Rot. Bonds5

About (4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate

(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate (PubChem CID 14534505) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is (4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate.

Molecular Properties

Compound Name(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
PubChem CID14534505
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
SMILESCCOc1ccc(OC(=O)c2ccc(OC(=O)OC)cc2)cc1
InChIInChI=1S/C17H16O6/c1-3-21-13-8-10-14(11-9-13)22-16(18)12-4-6-15(7-5-12)23-17(19)20-2/h4-11H,3H2,1-2H3
InChIKeyINRSYFXBODQZAB-UHFFFAOYSA-N
XLogP3.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-methoxycarbonyloxybenzoate
CID 54385395
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
(4-ethoxyphenyl) 4-carboxyoxybenzoate
CID 68508169
(4-ethoxyphenyl) 4-(2-methylbutyl)benzoate
CID 91726746
methyl 4-methoxycarbonyloxybenzoate
CID 584598
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
[4-[4-[(2-methylpropan-2-yl)oxy]benzoyl]oxyphenyl] 4-ethoxybenzoate
CID 170254641
[4-[2-[2-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyethoxy]ethoxycarbonyl]phenyl] 4-ethoxybenzoate
CID 101052638
(4-methoxycarbonylphenyl) 4-butoxybenzoate
CID 2833476
[4-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate
CID 177398517

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate?
The IUPAC name of (4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate (CID 14534505) is (4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate.
What is the SMILES notation for (4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate?
The canonical SMILES for (4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate is CCOc1ccc(OC(=O)c2ccc(OC(=O)OC)cc2)cc1.
What is the InChIKey of (4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate?
The InChIKey is INRSYFXBODQZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O6/c1-3-21-13-8-10-14(11-9-13)22-16(18)12-4-6-15(7-5-12)23-17(19)20-2/h4-11H,3H2,1-2H3.
What are the key properties of (4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate?
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate has a molecular weight of 316.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate is sourced from PubChem (CID 14534505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).