1-phenylpropan-2-yl furan-3-carboxylate

C14H14O3 — CID 60617101

IUPAC1-phenylpropan-2-yl furan-3-carboxylate
SMILESCC(Cc1ccccc1)OC(=O)c1ccoc1
InChIInChI=1S/C14H14O3/c1-11(9-12-5-3-2-4-6-12)17-14(15)13-7-8-16-10-13/h2-8,10-11H,9H2,1H3
InChIKeyRHHNKUZAEOAXHG-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.07
Rot. Bonds4

About 1-phenylpropan-2-yl furan-3-carboxylate

1-phenylpropan-2-yl furan-3-carboxylate (PubChem CID 60617101) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-phenylpropan-2-yl furan-3-carboxylate.

Molecular Properties

Compound Name1-phenylpropan-2-yl furan-3-carboxylate
PubChem CID60617101
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name1-phenylpropan-2-yl furan-3-carboxylate
SMILESCC(Cc1ccccc1)OC(=O)c1ccoc1
InChIInChI=1S/C14H14O3/c1-11(9-12-5-3-2-4-6-12)17-14(15)13-7-8-16-10-13/h2-8,10-11H,9H2,1H3
InChIKeyRHHNKUZAEOAXHG-UHFFFAOYSA-N
XLogP3.07
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate
CID 96995871
1-phenylpropan-2-yl 2-hydroxybenzoate
CID 139897029
methyl 2-benzyl-3-(furan-3-carbonylamino)butanoate
CID 119053068
1-phenylpropan-2-yl 2-methylprop-2-enoate
CID 68742666
1-(cyclobutadienyl)propan-2-yl benzoate
CID 144691187
2-benzyl-3-[2-(furan-3-carbonylamino)propanoylamino]propanoic acid
CID 119233505
3-oxo-3-(1-phenylpropan-2-yloxy)propanoate
CID 22273752
[(3R,4R)-1-benzyl-4-(furan-3-carbonyloxymethyl)pyrrolidin-3-yl]methyl furan-3-carboxylate
CID 97251034
[(2S)-pentan-2-yl] benzoate
CID 101019298
[(2S)-2-benzoyloxypropyl] benzoate
CID 73416127
1-phenylpropan-2-yl 3-aminobut-2-enoate
CID 70398022
N-[(2S,3S)-2-benzyl-3-hydroxy-2-methylbutyl]furan-3-carboxamide
CID 99795548

Frequently Asked Questions

What is the IUPAC name of 1-phenylpropan-2-yl furan-3-carboxylate?
The IUPAC name of 1-phenylpropan-2-yl furan-3-carboxylate (CID 60617101) is 1-phenylpropan-2-yl furan-3-carboxylate.
What is the SMILES notation for 1-phenylpropan-2-yl furan-3-carboxylate?
The canonical SMILES for 1-phenylpropan-2-yl furan-3-carboxylate is CC(Cc1ccccc1)OC(=O)c1ccoc1.
What is the InChIKey of 1-phenylpropan-2-yl furan-3-carboxylate?
The InChIKey is RHHNKUZAEOAXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-11(9-12-5-3-2-4-6-12)17-14(15)13-7-8-16-10-13/h2-8,10-11H,9H2,1H3.
What are the key properties of 1-phenylpropan-2-yl furan-3-carboxylate?
1-phenylpropan-2-yl furan-3-carboxylate has a molecular weight of 230.26 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropan-2-yl furan-3-carboxylate is sourced from PubChem (CID 60617101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).