propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate

C18H26O5 — CID 146319161

IUPACpropan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate
SMILESCC(C)OC(=O)CCc1ccccc1OCCC1OCCCO1
InChIInChI=1S/C18H26O5/c1-14(2)23-17(19)9-8-15-6-3-4-7-16(15)20-13-10-18-21-11-5-12-22-18/h3-4,6-7,14,18H,5,8-13H2,1-2H3
InChIKeyVKAYMPQMKOWFLD-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.10
Rot. Bonds8

About propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate

propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate (PubChem CID 146319161) has the molecular formula C18H26O5 and a molecular weight of 322.40 g/mol. Its IUPAC name is propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate
PubChem CID146319161
Molecular FormulaC18H26O5
Molecular Weight322.40 g/mol
Exact Mass322.18
IUPAC Namepropan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate
SMILESCC(C)OC(=O)CCc1ccccc1OCCC1OCCCO1
InChIInChI=1S/C18H26O5/c1-14(2)23-17(19)9-8-15-6-3-4-7-16(15)20-13-10-18-21-11-5-12-22-18/h3-4,6-7,14,18H,5,8-13H2,1-2H3
InChIKeyVKAYMPQMKOWFLD-UHFFFAOYSA-N
XLogP3.10
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]ethanol
CID 107712859
propan-2-yl 3-[2-(3-trimethylsilyloxypent-4-ynoxy)phenyl]propanoate
CID 175152117
2-[2-(2-methylphenoxy)ethyl]-1,3-dioxane
CID 66475164
propan-2-yl 3-[2-[4-[3-(1-hydroxy-2-phenylethyl)phenyl]butoxy]phenyl]propanoate
CID 175545297
(2-ethoxyphenyl) 3-(2-ethoxyphenyl)propanoate
CID 176892707
propan-2-yl 3-[2-[(Z)-5-[3-(benzenesulfonamido)phenyl]pent-4-enoxy]phenyl]propanoate
CID 146319063
2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]-1,3-dioxane
CID 66474354
methyl 4-[2-(4-cyclohexyl-3-methylbutyl)phenoxy]butanoate
CID 158877214
[2-(2-oxo-2-propan-2-yloxyethyl)phenyl] cyclohexanecarboxylate
CID 177226617
[(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(2-methoxyphenyl)propanoate
CID 40692975
[(2R)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384511
[(2R)-1-(4-ethoxyanilino)-1-oxopropan-2-yl] 3-(2-ethoxyphenyl)propanoate
CID 9384492

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate?
The IUPAC name of propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate (CID 146319161) is propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate.
What is the SMILES notation for propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate?
The canonical SMILES for propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate is CC(C)OC(=O)CCc1ccccc1OCCC1OCCCO1.
What is the InChIKey of propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate?
The InChIKey is VKAYMPQMKOWFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O5/c1-14(2)23-17(19)9-8-15-6-3-4-7-16(15)20-13-10-18-21-11-5-12-22-18/h3-4,6-7,14,18H,5,8-13H2,1-2H3.
What are the key properties of propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate?
propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate has a molecular weight of 322.40 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[2-[2-(1,3-dioxan-2-yl)ethoxy]phenyl]propanoate is sourced from PubChem (CID 146319161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).