(2-ethoxy-2-oxoethyl) 4-butylbenzoate

C15H20O4 — CID 174942004

IUPAC(2-ethoxy-2-oxoethyl) 4-butylbenzoate
SMILESCCCCc1ccc(C(=O)OCC(=O)OCC)cc1
InChIInChI=1S/C15H20O4/c1-3-5-6-12-7-9-13(10-8-12)15(17)19-11-14(16)18-4-2/h7-10H,3-6,11H2,1-2H3
InChIKeyZOCVDZFUXNQSCM-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.75
Rot. Bonds7

About (2-ethoxy-2-oxoethyl) 4-butylbenzoate

(2-ethoxy-2-oxoethyl) 4-butylbenzoate (PubChem CID 174942004) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 4-butylbenzoate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 4-butylbenzoate
PubChem CID174942004
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name(2-ethoxy-2-oxoethyl) 4-butylbenzoate
SMILESCCCCc1ccc(C(=O)OCC(=O)OCC)cc1
InChIInChI=1S/C15H20O4/c1-3-5-6-12-7-9-13(10-8-12)15(17)19-11-14(16)18-4-2/h7-10H,3-6,11H2,1-2H3
InChIKeyZOCVDZFUXNQSCM-UHFFFAOYSA-N
XLogP2.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-octylbenzoate
CID 19591720
amino 4-butylbenzoate
CID 68976158
ethyl 4-(4-heptylphenyl)benzoate
CID 146004855
heptyl 4-butylbenzoate
CID 530533
hexadecyl 4-butylbenzoate
CID 530539
octyl 4-butylbenzoate
CID 518663
ethyl 4-(4-hexylphenoxy)benzoate
CID 142414889
pentyl 4-(4-butylphenyl)benzoate
CID 70501993
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-butylbenzoate
CID 43018163
(2-ethoxy-2-oxoethyl) 4-phenylbenzoate
CID 78788675
ethyl 4-oxo-4-(4-pentylphenyl)butanoate
CID 24727550
2-hexoxyethyl 4-butylbenzoate
CID 140608518

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 4-butylbenzoate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 4-butylbenzoate (CID 174942004) is (2-ethoxy-2-oxoethyl) 4-butylbenzoate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 4-butylbenzoate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 4-butylbenzoate is CCCCc1ccc(C(=O)OCC(=O)OCC)cc1.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 4-butylbenzoate?
The InChIKey is ZOCVDZFUXNQSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-3-5-6-12-7-9-13(10-8-12)15(17)19-11-14(16)18-4-2/h7-10H,3-6,11H2,1-2H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 4-butylbenzoate?
(2-ethoxy-2-oxoethyl) 4-butylbenzoate has a molecular weight of 264.32 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 4-butylbenzoate is sourced from PubChem (CID 174942004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).