[2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate

C16H24O4 — CID 145115575

IUPAC[2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate
SMILESCCC(=O)OC(C(C)C)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C16H24O4/c1-6-15(17)20-16(11(2)3)12(4)19-14-9-7-13(18-5)8-10-14/h7-12,16H,6H2,1-5H3
InChIKeyXUDGWJPZHHERLK-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.44
Rot. Bonds7

About [2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate

[2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate (PubChem CID 145115575) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is [2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate.

Molecular Properties

Compound Name[2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate
PubChem CID145115575
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name[2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate
SMILESCCC(=O)OC(C(C)C)C(C)Oc1ccc(OC)cc1
InChIInChI=1S/C16H24O4/c1-6-15(17)20-16(11(2)3)12(4)19-14-9-7-13(18-5)8-10-14/h7-12,16H,6H2,1-5H3
InChIKeyXUDGWJPZHHERLK-UHFFFAOYSA-N
XLogP3.44
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-O-tert-butyl 1-O-[(2S,3R)-2-(4-methoxyphenoxy)-4-methylpentan-3-yl] (2R)-2-methylbutanedioate
CID 161200562
2,4-dimethylpentan-3-yl propanoate;methane
CID 167541618
3-propanoyloxybutan-2-yl propanoate
CID 14494224
[(2R,3R,4R,5R)-4-hydroxy-6-[(4-methoxyphenyl)methoxy]-3,5-dimethylhexan-2-yl] propanoate
CID 71726345
propan-2-yl 3-(4-methoxyphenoxy)butanoate
CID 146594244
[(1R,2S)-1,2-bis(4-methoxyphenyl)-2-(2-methylpropoxy)ethyl] propanoate
CID 102287210
methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
(2S)-N-(2,4-dimethylpentan-3-yl)-2-(4-methoxyphenoxy)butanamide
CID 124561337
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
[(4-methoxyphenyl)carbamoylamino] propanoate
CID 57108481
(2S)-2-(4-methoxyphenoxy)butanoate
CID 7269180

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate?
The IUPAC name of [2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate (CID 145115575) is [2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate.
What is the SMILES notation for [2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate?
The canonical SMILES for [2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate is CCC(=O)OC(C(C)C)C(C)Oc1ccc(OC)cc1.
What is the InChIKey of [2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate?
The InChIKey is XUDGWJPZHHERLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-6-15(17)20-16(11(2)3)12(4)19-14-9-7-13(18-5)8-10-14/h7-12,16H,6H2,1-5H3.
What are the key properties of [2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate?
[2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate has a molecular weight of 280.36 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenoxy)-4-methylpentan-3-yl] propanoate is sourced from PubChem (CID 145115575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).