2-benzoyloxyethyl benzoate;ethene

C20H22O4 — CID 67969171

IUPAC2-benzoyloxyethyl benzoate;ethene
SMILESC=C.C=C.O=C(OCCOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O4.2C2H4/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14;2*1-2/h1-10H,11-12H2;2*1-2H2
InChIKeyISPLNNWOPUJMBC-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.30
Rot. Bonds5

About 2-benzoyloxyethyl benzoate;ethene

2-benzoyloxyethyl benzoate;ethene (PubChem CID 67969171) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-benzoyloxyethyl benzoate;ethene.

Molecular Properties

Compound Name2-benzoyloxyethyl benzoate;ethene
PubChem CID67969171
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name2-benzoyloxyethyl benzoate;ethene
SMILESC=C.C=C.O=C(OCCOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14O4.2C2H4/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14;2*1-2/h1-10H,11-12H2;2*1-2H2
InChIKeyISPLNNWOPUJMBC-UHFFFAOYSA-N
XLogP4.30
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzoylbenzoyl)oxyethyl 4-benzoylbenzoate
CID 20532950
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
azane;2-methoxyethyl benzoate
CID 174560204
benzoic acid;2-(2-benzoyloxyethoxy)ethyl benzoate
CID 162019063
2-(aminomethoxy)ethyl benzoate
CID 89228347
3-benzoyloxypropanoic acid
CID 21263483
2-benzoyloxyethyl 3,5-diaminobenzoate
CID 21249778
2-(3,3-dimethylbut-1-en-2-yloxy)ethyl benzoate
CID 102460321
2-benzoyloxyethyl 2-benzoylbenzoate
CID 2456527
2-cyanatoethyl benzoate
CID 126625512
1-O-[2-(4-phenoxycarbonylbenzoyl)oxyethyl] 4-O-phenyl benzene-1,4-dicarboxylate
CID 154278572
3-oxobutyl benzoate
CID 10899468

Frequently Asked Questions

What is the IUPAC name of 2-benzoyloxyethyl benzoate;ethene?
The IUPAC name of 2-benzoyloxyethyl benzoate;ethene (CID 67969171) is 2-benzoyloxyethyl benzoate;ethene.
What is the SMILES notation for 2-benzoyloxyethyl benzoate;ethene?
The canonical SMILES for 2-benzoyloxyethyl benzoate;ethene is C=C.C=C.O=C(OCCOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzoyloxyethyl benzoate;ethene?
The InChIKey is ISPLNNWOPUJMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4.2C2H4/c17-15(13-7-3-1-4-8-13)19-11-12-20-16(18)14-9-5-2-6-10-14;2*1-2/h1-10H,11-12H2;2*1-2H2.
What are the key properties of 2-benzoyloxyethyl benzoate;ethene?
2-benzoyloxyethyl benzoate;ethene has a molecular weight of 326.39 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyloxyethyl benzoate;ethene is sourced from PubChem (CID 67969171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).