[1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate

C16H22O3 — CID 155148787

IUPAC[1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate
SMILESCCC(=O)OC(C)C(OCC1CC1)c1ccccc1
InChIInChI=1S/C16H22O3/c1-3-15(17)19-12(2)16(18-11-13-9-10-13)14-7-5-4-6-8-14/h4-8,12-13,16H,3,9-11H2,1-2H3
InChIKeyDZLBRKVFEQVBFK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.50
Rot. Bonds7

About [1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate

[1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate (PubChem CID 155148787) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is [1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate.

Molecular Properties

Compound Name[1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate
PubChem CID155148787
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name[1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate
SMILESCCC(=O)OC(C)C(OCC1CC1)c1ccccc1
InChIInChI=1S/C16H22O3/c1-3-15(17)19-12(2)16(18-11-13-9-10-13)14-7-5-4-6-8-14/h4-8,12-13,16H,3,9-11H2,1-2H3
InChIKeyDZLBRKVFEQVBFK-UHFFFAOYSA-N
XLogP3.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenyl-1-propoxypropan-2-yl) propanoate
CID 155148718
[(1R,2S)-1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] (2R)-4-(3-hydroxy-4-methoxy-2-pyridinyl)-2-methyl-4-oxobutanoate
CID 159699667
[(1S,2S)-1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] (2S)-2-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]propanoate
CID 121462031
cyclopropylmethyl 2-benzhydryloxyacetate
CID 57147359
ethanol;1-phenylethyl propanoate
CID 175279617
[(1R,2S)-1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] (2S)-2-[[3-(acetyloxymethoxy)-4-methoxypyridine-2-carbonyl]amino]propanoate
CID 121462187
2-(cyclohexylmethoxy)-1-phenylpropan-1-ol
CID 62383236
1-(cyclopentylmethoxy)ethylbenzene
CID 90167891
(2-oxo-1-phenylbutyl) propanoate
CID 102378018
[phenyl(propanoyloxy)methyl] 2-methylpropanoate
CID 58579244
1-phenylethyl butanoate;1-phenylethyl propanoate
CID 174922545
(2R)-2-(cyclopropylmethoxy)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]propan-1-one
CID 95601906

Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate?
The IUPAC name of [1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate (CID 155148787) is [1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate.
What is the SMILES notation for [1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate?
The canonical SMILES for [1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate is CCC(=O)OC(C)C(OCC1CC1)c1ccccc1.
What is the InChIKey of [1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate?
The InChIKey is DZLBRKVFEQVBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-15(17)19-12(2)16(18-11-13-9-10-13)14-7-5-4-6-8-14/h4-8,12-13,16H,3,9-11H2,1-2H3.
What are the key properties of [1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate?
[1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate has a molecular weight of 262.35 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethoxy)-1-phenylpropan-2-yl] propanoate is sourced from PubChem (CID 155148787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).