1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate

C18H26O4 — CID 90141636

IUPAC1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(=O)OCC(C)OC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H26O4/c1-12(2)10-16-6-8-17(9-7-16)14(4)18(20)22-13(3)11-21-15(5)19/h6-9,12-14H,10-11H2,1-5H3
InChIKeyHLPQVFXIARBILS-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.48
Rot. Bonds7

About 1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate

1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate (PubChem CID 90141636) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is 1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate.

Molecular Properties

Compound Name1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
PubChem CID90141636
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Name1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate
SMILESCC(=O)OCC(C)OC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H26O4/c1-12(2)10-16-6-8-17(9-7-16)14(4)18(20)22-13(3)11-21-15(5)19/h6-9,12-14H,10-11H2,1-5H3
InChIKeyHLPQVFXIARBILS-UHFFFAOYSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methylpropyl)phenyl]propyl acetate
CID 12905360
[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxymethyl (2S)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 118682684
benzhydryl (2R)-2-[4-(2-methylpropyl)phenyl]propanoate
CID 166440077
1-carboxyoxypropyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 166563144
(1-carboxyoxy-2-methylpropyl) 2-[4-(2-methylpropyl)phenyl]propanoate
CID 166563136
ethane;3-[4-(2-methylpropyl)phenyl]butan-2-one
CID 144564568
(2S)-2-amino-3-[(2S)-2-[4-(2-methylpropyl)phenyl]propanoyl]oxypropanoic acid
CID 67493555
2-sulfanylethyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 10445655
3-hydroxybutyl 2-[4-(2-methylpropyl)phenyl]propanoate
CID 129318305
[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-[4-(2-methylpropyl)phenyl]propanoate
CID 118666387
[(2R,3R,4R,5S)-2,3,4,5,6-pentahydroxyhexyl] 2-[4-(2-methylpropyl)phenyl]propanoate;[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-[4-(2-methylpropyl)phenyl]propanoate
CID 169442364
CID 175760114
CID 175760114

Frequently Asked Questions

What is the IUPAC name of 1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate?
The IUPAC name of 1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate (CID 90141636) is 1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate.
What is the SMILES notation for 1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate?
The canonical SMILES for 1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate is CC(=O)OCC(C)OC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate?
The InChIKey is HLPQVFXIARBILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O4/c1-12(2)10-16-6-8-17(9-7-16)14(4)18(20)22-13(3)11-21-15(5)19/h6-9,12-14H,10-11H2,1-5H3.
What are the key properties of 1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate?
1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate has a molecular weight of 306.40 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxypropan-2-yl 2-[4-(2-methylpropyl)phenyl]propanoate is sourced from PubChem (CID 90141636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).