(2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one

C20H25BrO2 — CID 101430395

IUPAC(2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one
SMILESCCCCCC/C=C(\CBr)C1=C(C)C(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C20H25BrO2/c1-3-4-5-6-8-13-17(14-21)18-15(2)20(22)23-19(18)16-11-9-7-10-12-16/h7,9-13,19H,3-6,8,14H2,1-2H3/b17-13+/t19-/m1/s1
InChIKeyYFAIGXOHEYAAFD-XEYRCQSKSA-N
MW377.32 g/mol
LogP5.89
Rot. Bonds8

About (2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one

(2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one (PubChem CID 101430395) has the molecular formula C20H25BrO2 and a molecular weight of 377.32 g/mol. Its IUPAC name is (2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one
PubChem CID101430395
Molecular FormulaC20H25BrO2
Molecular Weight377.32 g/mol
Exact Mass376.10
IUPAC Name(2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one
SMILESCCCCCC/C=C(\CBr)C1=C(C)C(=O)O[C@@H]1c1ccccc1
InChIInChI=1S/C20H25BrO2/c1-3-4-5-6-8-13-17(14-21)18-15(2)20(22)23-19(18)16-11-9-7-10-12-16/h7,9-13,19H,3-6,8,14H2,1-2H3/b17-13+/t19-/m1/s1
InChIKeyYFAIGXOHEYAAFD-XEYRCQSKSA-N
XLogP5.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one
CID 101430382
3-[(Z)-1-bromohept-2-en-2-yl]-4-methyl-2-naphthalen-1-yl-2H-furan-5-one
CID 101430379
3-[(Z)-1-bromohept-2-en-2-yl]-4-butyl-2-(4-chlorophenyl)-2H-furan-5-one
CID 101430378
(2R)-4-methyl-3-[(2R)-4-methyl-5-oxo-2-phenyl-2H-furan-3-yl]-2-phenyl-2H-furan-5-one
CID 102397882
2-phenylundec-2-ene-1-thiol
CID 175069404
3-chloro-4-methyl-2-phenyl-2H-furan-5-one
CID 10560334
2-hexyl-4-methyl-3-[(E)-3-oxo-3-phenylprop-1-enyl]-2H-furan-5-one
CID 102522094
sodium;hydride;1-phenyltetradec-1-enylbenzene
CID 173018182
[(E)-dec-1-enyl]-phenyliodanium
CID 10906117
1-N,1-N'-dibenzyloct-1-ene-1,1-diamine
CID 139931030
1-[1-(1H-inden-1-yl)dec-1-enyl]-1H-indene
CID 151420770
3-(5-oxo-2-phenyl-4-propyl-2H-furan-3-yl)-2-phenyl-4-propyl-2H-furan-5-one
CID 5250336

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one?
The IUPAC name of (2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one (CID 101430395) is (2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one.
What is the SMILES notation for (2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one?
The canonical SMILES for (2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one is CCCCCC/C=C(\CBr)C1=C(C)C(=O)O[C@@H]1c1ccccc1.
What is the InChIKey of (2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one?
The InChIKey is YFAIGXOHEYAAFD-XEYRCQSKSA-N. The full InChI is InChI=1S/C20H25BrO2/c1-3-4-5-6-8-13-17(14-21)18-15(2)20(22)23-19(18)16-11-9-7-10-12-16/h7,9-13,19H,3-6,8,14H2,1-2H3/b17-13+/t19-/m1/s1.
What are the key properties of (2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one?
(2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one has a molecular weight of 377.32 g/mol, XLogP of 5.89, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(Z)-1-bromonon-2-en-2-yl]-4-methyl-2-phenyl-2H-furan-5-one is sourced from PubChem (CID 101430395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).