tert-butyl 3-(4-methoxyphenyl)propanoate

C14H20O3 — CID 63896650

IUPACtert-butyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H20O3/c1-14(2,3)17-13(15)10-7-11-5-8-12(16-4)9-6-11/h5-6,8-9H,7,10H2,1-4H3
InChIKeyILUYVCJQPSQQGW-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.97
Rot. Bonds4

About tert-butyl 3-(4-methoxyphenyl)propanoate

tert-butyl 3-(4-methoxyphenyl)propanoate (PubChem CID 63896650) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is tert-butyl 3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(4-methoxyphenyl)propanoate
PubChem CID63896650
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nametert-butyl 3-(4-methoxyphenyl)propanoate
SMILESCOc1ccc(CCC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C14H20O3/c1-14(2,3)17-13(15)10-7-11-5-8-12(16-4)9-6-11/h5-6,8-9H,7,10H2,1-4H3
InChIKeyILUYVCJQPSQQGW-UHFFFAOYSA-N
XLogP2.97
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[4-(3-methoxy-3-oxopropyl)phenoxy]butanoate
CID 160926116
methyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 59163123
tert-butyl 3-(4-prop-2-enoyloxyphenyl)propanoate
CID 68930141
tert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 101184146
methyl 9-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]phenyl]nonanoate
CID 90307656
tert-butyl 3-[4-(4-methylpent-3-enyl)phenyl]propanoate
CID 57288346
tert-butyl 3-[4-(3-oxobutyl)phenoxy]propanoate
CID 116659062
formyl 3-(4-methoxyphenyl)propanoate
CID 174628635
tert-butyl 3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]propanoate
CID 164529549
(4-ethylphenyl) 3-(4-methoxyphenyl)propanoate
CID 19221076
1-(4-methoxyphenyl)-4,4-dimethylhexan-3-one
CID 114974365
tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 46841627

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(4-methoxyphenyl)propanoate?
The IUPAC name of tert-butyl 3-(4-methoxyphenyl)propanoate (CID 63896650) is tert-butyl 3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for tert-butyl 3-(4-methoxyphenyl)propanoate?
The canonical SMILES for tert-butyl 3-(4-methoxyphenyl)propanoate is COc1ccc(CCC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 3-(4-methoxyphenyl)propanoate?
The InChIKey is ILUYVCJQPSQQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-14(2,3)17-13(15)10-7-11-5-8-12(16-4)9-6-11/h5-6,8-9H,7,10H2,1-4H3.
What are the key properties of tert-butyl 3-(4-methoxyphenyl)propanoate?
tert-butyl 3-(4-methoxyphenyl)propanoate has a molecular weight of 236.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 63896650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).