benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate

C25H24O7 — CID 162019063

IUPACbenzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
SMILESO=C(O)c1ccccc1.O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O5.C7H6O2/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16;8-7(9)6-4-2-1-3-5-6/h1-10H,11-14H2;1-5H,(H,8,9)
InChIKeyYUMWPSOAQUDQJF-UHFFFAOYSA-N
MW436.46 g/mol
LogP4.10
Rot. Bonds9

About benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate

benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate (PubChem CID 162019063) has the molecular formula C25H24O7 and a molecular weight of 436.46 g/mol. Its IUPAC name is benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate.

Molecular Properties

Compound Namebenzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
PubChem CID162019063
Molecular FormulaC25H24O7
Molecular Weight436.46 g/mol
Exact Mass436.15
IUPAC Namebenzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
SMILESO=C(O)c1ccccc1.O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O5.C7H6O2/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16;8-7(9)6-4-2-1-3-5-6/h1-10H,11-14H2;1-5H,(H,8,9)
InChIKeyYUMWPSOAQUDQJF-UHFFFAOYSA-N
XLogP4.10
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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-(aminomethoxy)ethyl benzoate
CID 89228347
2-benzoyloxyethyl benzoate;ethene
CID 67969171
3-[2-(4-carboxybenzoyl)oxyethoxycarbonyl]benzoic acid
CID 67316168
2-(3-methylbutoxy)ethyl benzoate
CID 140608731
3-[3-(3-hydroxypropoxy)propoxy]propyl benzoate
CID 170190930
2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
2-nonoxyethyl benzoate
CID 140608587
2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate
CID 146533433
azane;2-methoxyethyl benzoate
CID 174560204
benzoic acid;2-(2-hydroxyethoxy)ethanol
CID 57375611
2-(chloromethoxy)ethyl benzoate;2-hydroxyethyl benzoate
CID 161417180

Frequently Asked Questions

What is the IUPAC name of benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate?
The IUPAC name of benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate (CID 162019063) is benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate.
What is the SMILES notation for benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate?
The canonical SMILES for benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate is O=C(O)c1ccccc1.O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate?
The InChIKey is YUMWPSOAQUDQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5.C7H6O2/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16;8-7(9)6-4-2-1-3-5-6/h1-10H,11-14H2;1-5H,(H,8,9).
What are the key properties of benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate?
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate has a molecular weight of 436.46 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate is sourced from PubChem (CID 162019063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).