benzyl 3-(furan-2-yl)-2-methylpropanoate

C15H16O3 — CID 132501734

IUPACbenzyl 3-(furan-2-yl)-2-methylpropanoate
SMILESCC(Cc1ccco1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H16O3/c1-12(10-14-8-5-9-17-14)15(16)18-11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKeyVSPSDVZKPKVXSH-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.20
Rot. Bonds5

About benzyl 3-(furan-2-yl)-2-methylpropanoate

benzyl 3-(furan-2-yl)-2-methylpropanoate (PubChem CID 132501734) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is benzyl 3-(furan-2-yl)-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 3-(furan-2-yl)-2-methylpropanoate
PubChem CID132501734
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namebenzyl 3-(furan-2-yl)-2-methylpropanoate
SMILESCC(Cc1ccco1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H16O3/c1-12(10-14-8-5-9-17-14)15(16)18-11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3
InChIKeyVSPSDVZKPKVXSH-UHFFFAOYSA-N
XLogP3.20
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

propyl 3-(furan-2-yl)-2-methylpropanoate
CID 175280714
benzyl 2-(furan-2-yl)acetate
CID 11447250
benzyl 3-[1-(furan-2-yl)ethylamino]-2-methylpropanoate
CID 106483934
benzyl (2R)-3-hydroxy-2-methylpropanoate
CID 102381310
benzyl 2-methyl-3-phenylpropanoate;ethane;methoxyethane;methoxymethane
CID 160695474
benzyl N-(furan-2-ylmethyl)carbamate
CID 10220238
benzyl N-[2-(furan-2-yl)ethyl]-N-methylcarbamate
CID 110733313
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
CID 14460596
benzyl (2S)-2-aminopropanoate
CID 726858
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
benzyl (2S,4R)-2,4-dimethyl-5-oxohexanoate
CID 160638130
benzyl (2R)-2-methyl-3-(methylamino)propanoate
CID 131170402

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(furan-2-yl)-2-methylpropanoate?
The IUPAC name of benzyl 3-(furan-2-yl)-2-methylpropanoate (CID 132501734) is benzyl 3-(furan-2-yl)-2-methylpropanoate.
What is the SMILES notation for benzyl 3-(furan-2-yl)-2-methylpropanoate?
The canonical SMILES for benzyl 3-(furan-2-yl)-2-methylpropanoate is CC(Cc1ccco1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 3-(furan-2-yl)-2-methylpropanoate?
The InChIKey is VSPSDVZKPKVXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-12(10-14-8-5-9-17-14)15(16)18-11-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3.
What are the key properties of benzyl 3-(furan-2-yl)-2-methylpropanoate?
benzyl 3-(furan-2-yl)-2-methylpropanoate has a molecular weight of 244.29 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(furan-2-yl)-2-methylpropanoate is sourced from PubChem (CID 132501734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).