methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate

C16H20O5 — CID 19874542

IUPACmethyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate
SMILESCOC(=O)C1CCC(COc2ccc(CC(C)=O)cc2)O1
InChIInChI=1S/C16H20O5/c1-11(17)9-12-3-5-13(6-4-12)20-10-14-7-8-15(21-14)16(18)19-2/h3-6,14-15H,7-10H2,1-2H3
InChIKeyLEJAQRWQSRPFRU-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.92
Rot. Bonds6

About methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate

methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate (PubChem CID 19874542) has the molecular formula C16H20O5 and a molecular weight of 292.33 g/mol. Its IUPAC name is methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate
PubChem CID19874542
Molecular FormulaC16H20O5
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Namemethyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate
SMILESCOC(=O)C1CCC(COc2ccc(CC(C)=O)cc2)O1
InChIInChI=1S/C16H20O5/c1-11(17)9-12-3-5-13(6-4-12)20-10-14-7-8-15(21-14)16(18)19-2/h3-6,14-15H,7-10H2,1-2H3
InChIKeyLEJAQRWQSRPFRU-UHFFFAOYSA-N
XLogP1.92
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(3-oxobutyl)phenoxy]methyl]oxolane-2-carboxylic acid
CID 62301158
1-[4-(oxolan-3-ylmethoxy)phenyl]propan-2-one
CID 115495368
5-[[4-(2-hydroxyethyl)phenoxy]methyl]oxolane-2-carbohydrazide
CID 107710073
methyl (2S)-5-(hydroxymethyl)oxolane-2-carboxylate
CID 143037549
5-[(3,4-dimethylphenoxy)methyl]oxolane-2-carboxylic acid
CID 62299571
5-[(4-cyanophenoxy)methyl]oxolane-2-carbohydrazide
CID 55214373
N-(oxan-4-yl)-2-[4-(2-oxopropyl)phenoxy]acetamide
CID 115495370
methyl (2S)-6-(2-oxopropyl)-2,3-dihydro-1,4-benzodioxine-2-carboxylate
CID 54517168
[4-(oxiran-2-ylmethoxy)phenyl] acetate
CID 57173964
oxiran-2-ylmethyl 2-[4-(oxiran-2-ylmethoxy)phenyl]acetate
CID 174203610
methyl (2S,5R)-5-[(2-methylphenyl)sulfonylmethyl]oxolane-2-carboxylate
CID 166304082
5-[(4-bromo-3-methylphenoxy)methyl]oxolane-2-carboxylic acid
CID 83132991

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate?
The IUPAC name of methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate (CID 19874542) is methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate is COC(=O)C1CCC(COc2ccc(CC(C)=O)cc2)O1.
What is the InChIKey of methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate?
The InChIKey is LEJAQRWQSRPFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O5/c1-11(17)9-12-3-5-13(6-4-12)20-10-14-7-8-15(21-14)16(18)19-2/h3-6,14-15H,7-10H2,1-2H3.
What are the key properties of methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate?
methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 1.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(2-oxopropyl)phenoxy]methyl]oxolane-2-carboxylate is sourced from PubChem (CID 19874542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).