2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one

C19H20O3 — CID 2906550

IUPAC2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
SMILESO=C(CC(c1ccccc1)C1CCCCC1=O)c1ccco1
InChIInChI=1S/C19H20O3/c20-17-10-5-4-9-15(17)16(14-7-2-1-3-8-14)13-18(21)19-11-6-12-22-19/h1-3,6-8,11-12,15-16H,4-5,9-10,13H2
InChIKeyOCECNERAWKMEKA-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.40
Rot. Bonds5

About 2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one

2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one (PubChem CID 2906550) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
PubChem CID2906550
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one
SMILESO=C(CC(c1ccccc1)C1CCCCC1=O)c1ccco1
InChIInChI=1S/C19H20O3/c20-17-10-5-4-9-15(17)16(14-7-2-1-3-8-14)13-18(21)19-11-6-12-22-19/h1-3,6-8,11-12,15-16H,4-5,9-10,13H2
InChIKeyOCECNERAWKMEKA-UHFFFAOYSA-N
XLogP4.40
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one?
The IUPAC name of 2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one (CID 2906550) is 2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one.
What is the SMILES notation for 2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one?
The canonical SMILES for 2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one is O=C(CC(c1ccccc1)C1CCCCC1=O)c1ccco1.
What is the InChIKey of 2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one?
The InChIKey is OCECNERAWKMEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O3/c20-17-10-5-4-9-15(17)16(14-7-2-1-3-8-14)13-18(21)19-11-6-12-22-19/h1-3,6-8,11-12,15-16H,4-5,9-10,13H2.
What are the key properties of 2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one?
2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one has a molecular weight of 296.37 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-3-oxo-1-phenylpropyl]cyclohexan-1-one is sourced from PubChem (CID 2906550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).