2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate

C30H26O6 — CID 17138631

IUPAC2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
SMILESO=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C30H26O6/c31-29(24-12-9-15-26(22-24)33-19-18-23-10-3-1-4-11-23)36-28-17-8-7-16-27(28)30(32)35-21-20-34-25-13-5-2-6-14-25/h1-17,22H,18-21H2
InChIKeyUISNFRYMXYLSOB-UHFFFAOYSA-N
MW482.53 g/mol
LogP5.76
Rot. Bonds11

About 2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate

2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate (PubChem CID 17138631) has the molecular formula C30H26O6 and a molecular weight of 482.53 g/mol. Its IUPAC name is 2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate.

Molecular Properties

Compound Name2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
PubChem CID17138631
Molecular FormulaC30H26O6
Molecular Weight482.53 g/mol
Exact Mass482.17
IUPAC Name2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
SMILESO=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1cccc(OCCc2ccccc2)c1
InChIInChI=1S/C30H26O6/c31-29(24-12-9-15-26(22-24)33-19-18-23-10-3-1-4-11-23)36-28-17-8-7-16-27(28)30(32)35-21-20-34-25-13-5-2-6-14-25/h1-17,22H,18-21H2
InChIKeyUISNFRYMXYLSOB-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-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
CID 17138630
2-phenoxyethyl 2-benzoyloxybenzoate
CID 17138536
[3-(2-phenylethoxycarbonyl)phenyl] 3-(2-phenoxyethoxy)benzoate
CID 17162297
[3-(3-phenylpropoxycarbonyl)phenyl] 2-(2-phenoxyethoxy)benzoate
CID 17161462
2-phenylethyl 3-[4-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17162299
2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
CID 17200308
bis(2-phenoxyethyl) benzene-1,2-dicarboxylate;bis(2-phenoxyethyl) benzene-1,3-dicarboxylate
CID 167602955
2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
CID 17138527
[3-(2-phenoxyethoxycarbonyl)phenyl] 3-bromo-4-(2-phenylethoxy)benzoate
CID 17161901
[3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate
CID 17162277
(2-acetylphenyl) 4-(2-phenylethoxy)benzoate
CID 23012287
2-(3-propoxybenzoyl)oxybenzoic acid
CID 54854800

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate?
The IUPAC name of 2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate (CID 17138631) is 2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate.
What is the SMILES notation for 2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate?
The canonical SMILES for 2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate is O=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1cccc(OCCc2ccccc2)c1.
What is the InChIKey of 2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate?
The InChIKey is UISNFRYMXYLSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26O6/c31-29(24-12-9-15-26(22-24)33-19-18-23-10-3-1-4-11-23)36-28-17-8-7-16-27(28)30(32)35-21-20-34-25-13-5-2-6-14-25/h1-17,22H,18-21H2.
What are the key properties of 2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate?
2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate 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-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate is sourced from PubChem (CID 17138631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).