2-phenoxyethyl 2-benzoyloxybenzoate

C22H18O5 — CID 17138536

IUPAC2-phenoxyethyl 2-benzoyloxybenzoate
SMILESO=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O5/c23-21(17-9-3-1-4-10-17)27-20-14-8-7-13-19(20)22(24)26-16-15-25-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyJBIUCHXXMGMHHB-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.14
Rot. Bonds7

About 2-phenoxyethyl 2-benzoyloxybenzoate

2-phenoxyethyl 2-benzoyloxybenzoate (PubChem CID 17138536) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-phenoxyethyl 2-benzoyloxybenzoate.

Molecular Properties

Compound Name2-phenoxyethyl 2-benzoyloxybenzoate
PubChem CID17138536
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name2-phenoxyethyl 2-benzoyloxybenzoate
SMILESO=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1ccccc1
InChIInChI=1S/C22H18O5/c23-21(17-9-3-1-4-10-17)27-20-14-8-7-13-19(20)22(24)26-16-15-25-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyJBIUCHXXMGMHHB-UHFFFAOYSA-N
XLogP4.14
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-chlorobenzoyl)oxybenzoate
CID 17138527
2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17138631
[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
CID 17138630
[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate
CID 17138532
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-(2-phenoxyethoxycarbonyl)phenyl] 3-bromo-4-propan-2-yloxybenzoate
CID 17138612
ethyl 2-(4-propoxybenzoyl)oxybenzoate
CID 23011682
2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate
CID 17138554
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646
(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012920
(2-acetylphenyl) 4-(2-phenylethoxy)benzoate
CID 23012287

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-benzoyloxybenzoate?
The IUPAC name of 2-phenoxyethyl 2-benzoyloxybenzoate (CID 17138536) is 2-phenoxyethyl 2-benzoyloxybenzoate.
What is the SMILES notation for 2-phenoxyethyl 2-benzoyloxybenzoate?
The canonical SMILES for 2-phenoxyethyl 2-benzoyloxybenzoate is O=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-benzoyloxybenzoate?
The InChIKey is JBIUCHXXMGMHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c23-21(17-9-3-1-4-10-17)27-20-14-8-7-13-19(20)22(24)26-16-15-25-18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of 2-phenoxyethyl 2-benzoyloxybenzoate?
2-phenoxyethyl 2-benzoyloxybenzoate has a molecular weight of 362.38 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-benzoyloxybenzoate is sourced from PubChem (CID 17138536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).