2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate

C34H34O7 — CID 23024567

IUPAC2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate
SMILESO=C(OCCOCCOCCOCCOC(=O)c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C34H34O7/c35-33(31-17-9-7-15-29(31)27-11-3-1-4-12-27)40-25-23-38-21-19-37-20-22-39-24-26-41-34(36)32-18-10-8-16-30(32)28-13-5-2-6-14-28/h1-18H,19-26H2
InChIKeyGUDYKYSSAPFUPE-UHFFFAOYSA-N
MW554.64 g/mol
LogP6.08
Rot. Bonds16

About 2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate

2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate (PubChem CID 23024567) has the molecular formula C34H34O7 and a molecular weight of 554.64 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate.

Molecular Properties

Compound Name2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate
PubChem CID23024567
Molecular FormulaC34H34O7
Molecular Weight554.64 g/mol
Exact Mass554.23
IUPAC Name2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate
SMILESO=C(OCCOCCOCCOCCOC(=O)c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1
InChIInChI=1S/C34H34O7/c35-33(31-17-9-7-15-29(31)27-11-3-1-4-12-27)40-25-23-38-21-19-37-20-22-39-24-26-41-34(36)32-18-10-8-16-30(32)28-13-5-2-6-14-28/h1-18H,19-26H2
InChIKeyGUDYKYSSAPFUPE-UHFFFAOYSA-N
XLogP6.08
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.64
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3,3-dimethyl-2-oxobutyl) 2-phenylbenzoate
CID 955183
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
butyl 2-(2-butoxycarbonylphenyl)-3-phenylbenzoate
CID 69286308
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-sulfanylbenzoate
CID 71446016
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
cadmium(2+);bis(2-[2-(2-hydroxyethoxy)ethoxycarbonyl]benzoate)
CID 101274297
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
2-[2-(2-acetyloxybenzoyl)oxyethoxy]acetic acid
CID 124895090
nonyl 2-(4-methylphenyl)benzoate
CID 90306403
2-(4-nitroanilino)ethyl 2-phenylbenzoate
CID 134092607
[2-(4-acetamidoanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229255

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate?
The IUPAC name of 2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate (CID 23024567) is 2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate.
What is the SMILES notation for 2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate?
The canonical SMILES for 2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate is O=C(OCCOCCOCCOCCOC(=O)c1ccccc1-c1ccccc1)c1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate?
The InChIKey is GUDYKYSSAPFUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34O7/c35-33(31-17-9-7-15-29(31)27-11-3-1-4-12-27)40-25-23-38-21-19-37-20-22-39-24-26-41-34(36)32-18-10-8-16-30(32)28-13-5-2-6-14-28/h1-18H,19-26H2.
What are the key properties of 2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate?
2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate has a molecular weight of 554.64 g/mol, XLogP of 6.08, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-phenylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethyl 2-phenylbenzoate is sourced from PubChem (CID 23024567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).