(5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one

C25H22O3 — CID 86278000

IUPAC(5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one
SMILESCC(=O)C[C@H](c1ccc2ccccc2c1)[C@]1(Cc2ccccc2)C=CC(=O)O1
InChIInChI=1S/C25H22O3/c1-18(26)15-23(22-12-11-20-9-5-6-10-21(20)16-22)25(14-13-24(27)28-25)17-19-7-3-2-4-8-19/h2-14,16,23H,15,17H2,1H3/t23-,25-/m1/s1
InChIKeySMZGAEFXIPKVCH-ILBGXUMGSA-N
MW370.45 g/mol
LogP5.00
Rot. Bonds6

About (5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one

(5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one (PubChem CID 86278000) has the molecular formula C25H22O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one.

Molecular Properties

Compound Name(5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one
PubChem CID86278000
Molecular FormulaC25H22O3
Molecular Weight370.45 g/mol
Exact Mass370.16
IUPAC Name(5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one
SMILESCC(=O)C[C@H](c1ccc2ccccc2c1)[C@]1(Cc2ccccc2)C=CC(=O)O1
InChIInChI=1S/C25H22O3/c1-18(26)15-23(22-12-11-20-9-5-6-10-21(20)16-22)25(14-13-24(27)28-25)17-19-7-3-2-4-8-19/h2-14,16,23H,15,17H2,1H3/t23-,25-/m1/s1
InChIKeySMZGAEFXIPKVCH-ILBGXUMGSA-N
XLogP5.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one?
The IUPAC name of (5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one (CID 86278000) is (5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one.
What is the SMILES notation for (5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one?
The canonical SMILES for (5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one is CC(=O)C[C@H](c1ccc2ccccc2c1)[C@]1(Cc2ccccc2)C=CC(=O)O1.
What is the InChIKey of (5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one?
The InChIKey is SMZGAEFXIPKVCH-ILBGXUMGSA-N. The full InChI is InChI=1S/C25H22O3/c1-18(26)15-23(22-12-11-20-9-5-6-10-21(20)16-22)25(14-13-24(27)28-25)17-19-7-3-2-4-8-19/h2-14,16,23H,15,17H2,1H3/t23-,25-/m1/s1.
What are the key properties of (5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one?
(5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one has a molecular weight of 370.45 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-5-[(1R)-1-naphthalen-2-yl-3-oxobutyl]furan-2-one is sourced from PubChem (CID 86278000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).