ethyl 2-(4-propoxybenzoyl)oxybenzoate

C19H20O5 — CID 23011682

IUPACethyl 2-(4-propoxybenzoyl)oxybenzoate
SMILESCCCOc1ccc(C(=O)Oc2ccccc2C(=O)OCC)cc1
InChIInChI=1S/C19H20O5/c1-3-13-23-15-11-9-14(10-12-15)18(20)24-17-8-6-5-7-16(17)19(21)22-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyZJXDVKDXWNWANV-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.87
Rot. Bonds7

About ethyl 2-(4-propoxybenzoyl)oxybenzoate

ethyl 2-(4-propoxybenzoyl)oxybenzoate (PubChem CID 23011682) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is ethyl 2-(4-propoxybenzoyl)oxybenzoate.

Molecular Properties

Compound Nameethyl 2-(4-propoxybenzoyl)oxybenzoate
PubChem CID23011682
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Nameethyl 2-(4-propoxybenzoyl)oxybenzoate
SMILESCCCOc1ccc(C(=O)Oc2ccccc2C(=O)OCC)cc1
InChIInChI=1S/C19H20O5/c1-3-13-23-15-11-9-14(10-12-15)18(20)24-17-8-6-5-7-16(17)19(21)22-4-2/h5-12H,3-4,13H2,1-2H3
InChIKeyZJXDVKDXWNWANV-UHFFFAOYSA-N
XLogP3.87
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxycarbonylphenoxy)carbonylbenzoate
CID 18428931
2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
CID 17200308
2-phenoxyethyl 2-benzoyloxybenzoate
CID 17138536
ethyl 2-[[2-(4-propoxybenzoyl)oxyacetyl]amino]benzoate
CID 7211927
(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012920
2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
CID 17138527
ethyl 2-(2-ethoxycarbonylphenoxy)benzoate
CID 142800670
[1-[2-(4-propoxybenzoyl)oxynaphthalen-1-yl]naphthalen-2-yl] 4-propoxybenzoate
CID 158022369
propyl 2-(4-nitrobenzoyl)oxybenzoate
CID 2170906
(2-ethoxyphenyl) 4-ethoxybenzoate
CID 176892652
ethyl 2-(4-bromophenoxy)benzoate
CID 23464800
(4-acetylphenyl) 2-propoxybenzoate
CID 23011739

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-propoxybenzoyl)oxybenzoate?
The IUPAC name of ethyl 2-(4-propoxybenzoyl)oxybenzoate (CID 23011682) is ethyl 2-(4-propoxybenzoyl)oxybenzoate.
What is the SMILES notation for ethyl 2-(4-propoxybenzoyl)oxybenzoate?
The canonical SMILES for ethyl 2-(4-propoxybenzoyl)oxybenzoate is CCCOc1ccc(C(=O)Oc2ccccc2C(=O)OCC)cc1.
What is the InChIKey of ethyl 2-(4-propoxybenzoyl)oxybenzoate?
The InChIKey is ZJXDVKDXWNWANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-3-13-23-15-11-9-14(10-12-15)18(20)24-17-8-6-5-7-16(17)19(21)22-4-2/h5-12H,3-4,13H2,1-2H3.
What are the key properties of ethyl 2-(4-propoxybenzoyl)oxybenzoate?
ethyl 2-(4-propoxybenzoyl)oxybenzoate has a molecular weight of 328.36 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-propoxybenzoyl)oxybenzoate is sourced from PubChem (CID 23011682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).