tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate

C16H22O3 — CID 114522678

IUPACtert-butyl 2-(3-cyclopropyloxyphenyl)propanoate
SMILESCC(C(=O)OC(C)(C)C)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H22O3/c1-11(15(17)19-16(2,3)4)12-6-5-7-14(10-12)18-13-8-9-13/h5-7,10-11,13H,8-9H2,1-4H3
InChIKeyOKFFSLMHJUGTML-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.67
Rot. Bonds4

About tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate

tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate (PubChem CID 114522678) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate.

Molecular Properties

Compound Nametert-butyl 2-(3-cyclopropyloxyphenyl)propanoate
PubChem CID114522678
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nametert-butyl 2-(3-cyclopropyloxyphenyl)propanoate
SMILESCC(C(=O)OC(C)(C)C)c1cccc(OC2CC2)c1
InChIInChI=1S/C16H22O3/c1-11(15(17)19-16(2,3)4)12-6-5-7-14(10-12)18-13-8-9-13/h5-7,10-11,13H,8-9H2,1-4H3
InChIKeyOKFFSLMHJUGTML-UHFFFAOYSA-N
XLogP3.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[3-[(1R)-1-hydroxyethyl]phenoxy]piperidine-1-carboxylate
CID 124636293
2-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 115005001
1-(3-cyclopropyloxyphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105131484
1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexan-1-ol
CID 115838493
2,3,3-trimethylbutan-2-yl (2S)-2-(3-methoxyphenyl)propanoate
CID 134966872
1-(3-cyclopropyloxyphenyl)-3,4,4-trimethylpentan-1-ol
CID 115838526
1-(3-cyclopropyloxyphenyl)-2,2-dimethylbutan-1-amine
CID 105051843
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
[1-(3-cyclopropyloxyphenyl)-3,5,5-trimethylhexyl]hydrazine
CID 105341096
2-cyclopropyl-1-(3-cyclopropyloxyphenyl)propan-1-amine
CID 105051847
tert-butyl 2-[3-(1-phenylethenyl)phenyl]propanoate
CID 15718586
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate?
The IUPAC name of tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate (CID 114522678) is tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate.
What is the SMILES notation for tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate?
The canonical SMILES for tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate is CC(C(=O)OC(C)(C)C)c1cccc(OC2CC2)c1.
What is the InChIKey of tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate?
The InChIKey is OKFFSLMHJUGTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-11(15(17)19-16(2,3)4)12-6-5-7-14(10-12)18-13-8-9-13/h5-7,10-11,13H,8-9H2,1-4H3.
What are the key properties of tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate?
tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate has a molecular weight of 262.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-cyclopropyloxyphenyl)propanoate is sourced from PubChem (CID 114522678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).