tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate

C15H20O4 — CID 10422914

IUPACtert-butyl 4-(3-methoxy-3-oxopropyl)benzoate
SMILESCOC(=O)CCc1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H20O4/c1-15(2,3)19-14(17)12-8-5-11(6-9-12)7-10-13(16)18-4/h5-6,8-9H,7,10H2,1-4H3
InChIKeyWVYJMSGFBIZWOU-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.75
Rot. Bonds4

About tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate

tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate (PubChem CID 10422914) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate.

Molecular Properties

Compound Nametert-butyl 4-(3-methoxy-3-oxopropyl)benzoate
PubChem CID10422914
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nametert-butyl 4-(3-methoxy-3-oxopropyl)benzoate
SMILESCOC(=O)CCc1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C15H20O4/c1-15(2,3)19-14(17)12-8-5-11(6-9-12)7-10-13(16)18-4/h5-6,8-9H,7,10H2,1-4H3
InChIKeyWVYJMSGFBIZWOU-UHFFFAOYSA-N
XLogP2.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
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

tert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 101184146
methyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 59163123
tert-butyl 3-(3-methoxy-3-oxopropyl)benzoate
CID 168915326
methyl 3-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propanoate
CID 141484453
methyl 9-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]nonanoate
CID 90307656
tert-butyl 2-[[4-(3-methoxy-3-oxopropyl)benzoyl]amino]propanoate
CID 140983946
tert-butyl 4-[2-(aminomethylamino)ethyl]benzoate
CID 57370866
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]benzoate
CID 70169590
tert-butyl 4-[2-(tert-butylsulfinylamino)ethyl]benzoate
CID 123323833
tert-butyl 4-(hydroxymethyl)benzoate
CID 14760326
tert-butyl 4-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoate
CID 160926116
tert-butyl 4-(5-ethoxy-5-oxopentyl)benzoate
CID 14774610

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate?
The IUPAC name of tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate (CID 10422914) is tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate.
What is the SMILES notation for tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate?
The canonical SMILES for tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate is COC(=O)CCc1ccc(C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate?
The InChIKey is WVYJMSGFBIZWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-15(2,3)19-14(17)12-8-5-11(6-9-12)7-10-13(16)18-4/h5-6,8-9H,7,10H2,1-4H3.
What are the key properties of tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate?
tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate has a molecular weight of 264.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methoxy-3-oxopropyl)benzoate is sourced from PubChem (CID 10422914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).