oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate

C15H20O3 — CID 78833188

IUPACoxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
SMILESCc1cccc(CCC(=O)OCC2CCCO2)c1
InChIInChI=1S/C15H20O3/c1-12-4-2-5-13(10-12)7-8-15(16)18-11-14-6-3-9-17-14/h2,4-5,10,14H,3,6-9,11H2,1H3
InChIKeyPWRQPUYCMVLTMX-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.65
Rot. Bonds5

About oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate

oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate (PubChem CID 78833188) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
PubChem CID78833188
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Nameoxolan-2-ylmethyl 3-(3-methylphenyl)propanoate
SMILESCc1cccc(CCC(=O)OCC2CCCO2)c1
InChIInChI=1S/C15H20O3/c1-12-4-2-5-13(10-12)7-8-15(16)18-11-14-6-3-9-17-14/h2,4-5,10,14H,3,6-9,11H2,1H3
InChIKeyPWRQPUYCMVLTMX-UHFFFAOYSA-N
XLogP2.65
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
[4-(2-methylpropyl)morpholin-2-yl]methyl 3-(3-methylphenyl)propanoate
CID 78831866
oxolan-2-ylmethyl 3-(4-chlorosulfonylphenyl)propanoate
CID 65376038
oxolan-2-ylmethyl 3-aminopropanoate
CID 22321347
1-(3-methylphenyl)-5-(oxolan-2-yl)pentan-2-one
CID 65166948
bis(oxolan-2-ylmethyl) butanedioate;oxolan-2-ylmethyl benzoate
CID 67831288
N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110627806
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
3-(3-fluorophenyl)-N-[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 60574673
N-[(3-methylphenyl)methyl]-1-[3-(oxolan-2-ylmethoxy)phenyl]methanamine
CID 54804154
N'-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)propanediamide
CID 108943614
(5-methyloxolan-2-yl)methyl 3-(3-aminophenyl)propanoate
CID 103137050

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate?
The IUPAC name of oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate (CID 78833188) is oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate.
What is the SMILES notation for oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate?
The canonical SMILES for oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate is Cc1cccc(CCC(=O)OCC2CCCO2)c1.
What is the InChIKey of oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate?
The InChIKey is PWRQPUYCMVLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-12-4-2-5-13(10-12)7-8-15(16)18-11-14-6-3-9-17-14/h2,4-5,10,14H,3,6-9,11H2,1H3.
What are the key properties of oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate?
oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate has a molecular weight of 248.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3-(3-methylphenyl)propanoate is sourced from PubChem (CID 78833188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).