tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate

C17H24O3 — CID 59636847

IUPACtert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOc1ccc(C2(C)CC2)cc1
InChIInChI=1S/C17H24O3/c1-16(2,3)20-15(18)9-12-19-14-7-5-13(6-8-14)17(4)10-11-17/h5-8H,9-12H2,1-4H3
InChIKeyLNZKIIWDGNMLQQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.85
Rot. Bonds5

About tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate

tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate (PubChem CID 59636847) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate
PubChem CID59636847
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Nametert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate
SMILESCC(C)(C)OC(=O)CCOc1ccc(C2(C)CC2)cc1
InChIInChI=1S/C17H24O3/c1-16(2,3)20-15(18)9-12-19-14-7-5-13(6-8-14)17(4)10-11-17/h5-8H,9-12H2,1-4H3
InChIKeyLNZKIIWDGNMLQQ-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]phenyl]cyclopropane-1-carboxylate
CID 59129236
tert-butyl 2-[4-(1-methylcyclopropyl)phenyl]acetate
CID 118560274
tert-butyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 46841627
tert-butyl 3-[4-(3-oxobutyl)phenoxy]propanoate
CID 116659062
tert-butyl 3-(4-butylphenoxy)propanoate
CID 116659256
tert-butyl 4-(4-cyclopropylphenoxy)butanoate
CID 163225140
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 67296391
tert-butyl 3-(3-tert-butylphenoxy)propanoate
CID 116659158
tert-butyl 5-(4-butoxyphenoxy)-4-oxopentanoate
CID 58498087
tert-butyl 4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]butanoate
CID 140882037
tert-butyl 3-(4-chloro-3-fluorophenoxy)propanoate
CID 116659260
tert-butyl 6-(4-phenylphenoxy)hexanoate
CID 11724831

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate?
The IUPAC name of tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate (CID 59636847) is tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate.
What is the SMILES notation for tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate?
The canonical SMILES for tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate is CC(C)(C)OC(=O)CCOc1ccc(C2(C)CC2)cc1.
What is the InChIKey of tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate?
The InChIKey is LNZKIIWDGNMLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-16(2,3)20-15(18)9-12-19-14-7-5-13(6-8-14)17(4)10-11-17/h5-8H,9-12H2,1-4H3.
What are the key properties of tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate?
tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate has a molecular weight of 276.38 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(1-methylcyclopropyl)phenoxy]propanoate is sourced from PubChem (CID 59636847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).