[(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate

C17H20O3 — CID 101189000

IUPAC[(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)OC[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C17H20O3/c1-13-5-7-15(8-6-13)9-10-17(18)20-12-14(2)16-4-3-11-19-16/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyISIAPDXQPWEVFR-CQSZACIVSA-N
MW272.34 g/mol
LogP3.87
Rot. Bonds6

About [(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate

[(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate (PubChem CID 101189000) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is [(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Name[(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate
PubChem CID101189000
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name[(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate
SMILESCc1ccc(CCC(=O)OC[C@@H](C)c2ccco2)cc1
InChIInChI=1S/C17H20O3/c1-13-5-7-15(8-6-13)9-10-17(18)20-12-14(2)16-4-3-11-19-16/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1
InChIKeyISIAPDXQPWEVFR-CQSZACIVSA-N
XLogP3.87
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-phenylpropyl] 3-(4-methylphenyl)propanoate
CID 100981005
ethyl 3-[4-(furan-2-yl)phenyl]propanoate
CID 168526212
2-(4-methylphenyl)ethyl 3-(4-hydroxyphenyl)propanoate
CID 58446609
(2-propan-2-ylphenyl) 3-(4-methylphenyl)propanoate
CID 19220587
ethyl 4-(4-methylphenyl)butanoate
CID 10013221
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[2-(4-methylphenyl)ethyl]urea
CID 111422873
ethyl 3-[4-(5-methyl-2-pyridinyl)phenyl]propanoate
CID 67182542
N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]furan-2-carboxamide
CID 43049335
2-[(2S)-1-(4-methylphenyl)sulfonylpropan-2-yl]furan
CID 134965233
ethane;3-(4-methylphenyl)propanamide
CID 142510251
ethyl 3-[3-(3-ethoxy-3-oxopropyl)phenyl]propanoate
CID 69039070
(4-methoxy-2-methylbutyl) 3-phenylpropanoate
CID 91702047

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate?
The IUPAC name of [(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate (CID 101189000) is [(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate.
What is the SMILES notation for [(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate?
The canonical SMILES for [(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate is Cc1ccc(CCC(=O)OC[C@@H](C)c2ccco2)cc1.
What is the InChIKey of [(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate?
The InChIKey is ISIAPDXQPWEVFR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20O3/c1-13-5-7-15(8-6-13)9-10-17(18)20-12-14(2)16-4-3-11-19-16/h3-8,11,14H,9-10,12H2,1-2H3/t14-/m1/s1.
What are the key properties of [(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate?
[(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate has a molecular weight of 272.34 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(furan-2-yl)propyl] 3-(4-methylphenyl)propanoate is sourced from PubChem (CID 101189000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).