[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate

C30H26O6 — CID 17138630

IUPAC[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
SMILESO=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C30H26O6/c31-29(35-22-21-33-24-13-5-2-6-14-24)26-16-8-10-18-28(26)36-30(32)25-15-7-9-17-27(25)34-20-19-23-11-3-1-4-12-23/h1-18H,19-22H2
InChIKeyRSOZVQFUMNPERU-UHFFFAOYSA-N
MW482.53 g/mol
LogP5.76
Rot. Bonds11

About [2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate

[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate (PubChem CID 17138630) has the molecular formula C30H26O6 and a molecular weight of 482.53 g/mol. Its IUPAC name is [2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate.

Molecular Properties

Compound Name[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
PubChem CID17138630
Molecular FormulaC30H26O6
Molecular Weight482.53 g/mol
Exact Mass482.17
IUPAC Name[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
SMILESO=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1ccccc1OCCc1ccccc1
InChIInChI=1S/C30H26O6/c31-29(35-22-21-33-24-13-5-2-6-14-24)26-16-8-10-18-28(26)36-30(32)25-15-7-9-17-27(25)34-20-19-23-11-3-1-4-12-23/h1-18H,19-22H2
InChIKeyRSOZVQFUMNPERU-UHFFFAOYSA-N
XLogP5.76
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.53
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17138631
2-phenoxyethyl 2-benzoyloxybenzoate
CID 17138536
[3-(3-phenylpropoxycarbonyl)phenyl] 2-(2-phenoxyethoxy)benzoate
CID 17161462
2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
CID 17200308
2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
CID 17138527
[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate
CID 17138532
2-phenylethyl 2-butoxybenzoate
CID 141306389
(2-acetylphenyl) 4-(2-phenylethoxy)benzoate
CID 23012287
(4-cyanophenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4562658
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646
2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate
CID 17138554
(4-bromo-2-chlorophenyl) 2-(2-phenoxyethoxy)benzoate
CID 23012046

Frequently Asked Questions

What is the IUPAC name of [2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate?
The IUPAC name of [2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate (CID 17138630) is [2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate.
What is the SMILES notation for [2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate?
The canonical SMILES for [2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate is O=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1ccccc1OCCc1ccccc1.
What is the InChIKey of [2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate?
The InChIKey is RSOZVQFUMNPERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O6/c31-29(35-22-21-33-24-13-5-2-6-14-24)26-16-8-10-18-28(26)36-30(32)25-15-7-9-17-27(25)34-20-19-23-11-3-1-4-12-23/h1-18H,19-22H2.
What are the key properties of [2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate?
[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate has a molecular weight of 482.53 g/mol, XLogP of 5.76, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate is sourced from PubChem (CID 17138630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).