(4-ethoxyphenyl) 4-carboxyoxybenzoate

C16H14O6 — CID 68508169

IUPAC(4-ethoxyphenyl) 4-carboxyoxybenzoate
SMILESCCOc1ccc(OC(=O)c2ccc(OC(=O)O)cc2)cc1
InChIInChI=1S/C16H14O6/c1-2-20-12-7-9-13(10-8-12)21-15(17)11-3-5-14(6-4-11)22-16(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeyZXEGOZTWXXBTAO-UHFFFAOYSA-N
MW302.28 g/mol
LogP3.36
Rot. Bonds5

About (4-ethoxyphenyl) 4-carboxyoxybenzoate

(4-ethoxyphenyl) 4-carboxyoxybenzoate (PubChem CID 68508169) has the molecular formula C16H14O6 and a molecular weight of 302.28 g/mol. Its IUPAC name is (4-ethoxyphenyl) 4-carboxyoxybenzoate.

Molecular Properties

Compound Name(4-ethoxyphenyl) 4-carboxyoxybenzoate
PubChem CID68508169
Molecular FormulaC16H14O6
Molecular Weight302.28 g/mol
Exact Mass302.08
IUPAC Name(4-ethoxyphenyl) 4-carboxyoxybenzoate
SMILESCCOc1ccc(OC(=O)c2ccc(OC(=O)O)cc2)cc1
InChIInChI=1S/C16H14O6/c1-2-20-12-7-9-13(10-8-12)21-15(17)11-3-5-14(6-4-11)22-16(18)19/h3-10H,2H2,1H3,(H,18,19)
InChIKeyZXEGOZTWXXBTAO-UHFFFAOYSA-N
XLogP3.36
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
(4-propan-2-yloxycarbonylphenyl) 4-ethoxybenzoate
CID 17160880
[4-(4-methoxycarbonyloxybenzoyl)oxyphenyl] 4-ethoxybenzoate
CID 58003994
(4-ethoxyphenyl) 4-methoxycarbonyloxybenzoate
CID 14534505
[4-[3-[4-(4-ethoxybenzoyl)oxybenzoyl]oxyphenoxy]carbonylphenyl] 4-ethoxybenzoate
CID 143295267
(4-ethoxyphenyl) 4-carboxyoxy-3-methylbenzoate
CID 71651123
[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-[(E)-hydroxyiminomethyl]phenyl] 4-ethoxybenzoate
CID 177398517
(4-hydroxyphenyl) 4-carboxyoxybenzoate
CID 126668327
(4-ethoxyphenyl) 4-(2-methylbutyl)benzoate
CID 91726746
[4-(4-acetyloxyphenoxy)carbonylphenyl] 4-propoxybenzoate
CID 58981515

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) 4-carboxyoxybenzoate?
The IUPAC name of (4-ethoxyphenyl) 4-carboxyoxybenzoate (CID 68508169) is (4-ethoxyphenyl) 4-carboxyoxybenzoate.
What is the SMILES notation for (4-ethoxyphenyl) 4-carboxyoxybenzoate?
The canonical SMILES for (4-ethoxyphenyl) 4-carboxyoxybenzoate is CCOc1ccc(OC(=O)c2ccc(OC(=O)O)cc2)cc1.
What is the InChIKey of (4-ethoxyphenyl) 4-carboxyoxybenzoate?
The InChIKey is ZXEGOZTWXXBTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O6/c1-2-20-12-7-9-13(10-8-12)21-15(17)11-3-5-14(6-4-11)22-16(18)19/h3-10H,2H2,1H3,(H,18,19).
What are the key properties of (4-ethoxyphenyl) 4-carboxyoxybenzoate?
(4-ethoxyphenyl) 4-carboxyoxybenzoate has a molecular weight of 302.28 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) 4-carboxyoxybenzoate is sourced from PubChem (CID 68508169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).