(5R)-3-butyl-5-methyl-5-phenylfuran-2-one

C15H18O2 — CID 171726862

IUPAC(5R)-3-butyl-5-methyl-5-phenylfuran-2-one
SMILESCCCCC1=C[C@](C)(c2ccccc2)OC1=O
InChIInChI=1S/C15H18O2/c1-3-4-8-12-11-15(2,17-14(12)16)13-9-6-5-7-10-13/h5-7,9-11H,3-4,8H2,1-2H3/t15-/m1/s1
InChIKeyLPBHOVFUWFKJHK-OAHLLOKOSA-N
MW230.31 g/mol
LogP3.58
Rot. Bonds4

About (5R)-3-butyl-5-methyl-5-phenylfuran-2-one

(5R)-3-butyl-5-methyl-5-phenylfuran-2-one (PubChem CID 171726862) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (5R)-3-butyl-5-methyl-5-phenylfuran-2-one.

Molecular Properties

Compound Name(5R)-3-butyl-5-methyl-5-phenylfuran-2-one
PubChem CID171726862
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(5R)-3-butyl-5-methyl-5-phenylfuran-2-one
SMILESCCCCC1=C[C@](C)(c2ccccc2)OC1=O
InChIInChI=1S/C15H18O2/c1-3-4-8-12-11-15(2,17-14(12)16)13-9-6-5-7-10-13/h5-7,9-11H,3-4,8H2,1-2H3/t15-/m1/s1
InChIKeyLPBHOVFUWFKJHK-OAHLLOKOSA-N
XLogP3.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5R)-3-butyl-5-methyl-5-phenylfuran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-5-methyl-5-phenylfuran-2-one
CID 14661185
2-butyl-4-methyl-4-phenyl-1H-imidazol-5-one;hydrochloride
CID 21466586
3-[(6Z,9Z,12Z)-docosa-6,9,12-trienyl]-5-hydroxy-5-methylfuran-2-one
CID 23425573
3-butylfuran-2,5-dione
CID 11030038
2,2-dimethyl-5-phenyl-5-propyl-1,3-dioxolan-4-one
CID 175481481
4-methyl-3-[(E)-oct-2-enyl]-4-phenyloxetan-2-one
CID 72724568
butylbenzene;carbonic acid
CID 158278492
(5R)-2,2,5-trimethyl-5-phenylfuran
CID 129396442
(4R)-2-butyl-4-phenylcyclopent-2-en-1-one
CID 11608201
2,4-dimethyl-2-phenyl-7,8-dihydro-6H-chromen-5-one
CID 102262129
(1R)-2-(4-butylphenyl)-1-phenylcycloprop-2-ene-1-carboxylic acid
CID 102213785
3-nonyl-3-phenyl-1-benzofuran-2-one
CID 23503882

Frequently Asked Questions

What is the IUPAC name of (5R)-3-butyl-5-methyl-5-phenylfuran-2-one?
The IUPAC name of (5R)-3-butyl-5-methyl-5-phenylfuran-2-one (CID 171726862) is (5R)-3-butyl-5-methyl-5-phenylfuran-2-one.
What is the SMILES notation for (5R)-3-butyl-5-methyl-5-phenylfuran-2-one?
The canonical SMILES for (5R)-3-butyl-5-methyl-5-phenylfuran-2-one is CCCCC1=C[C@](C)(c2ccccc2)OC1=O.
What is the InChIKey of (5R)-3-butyl-5-methyl-5-phenylfuran-2-one?
The InChIKey is LPBHOVFUWFKJHK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18O2/c1-3-4-8-12-11-15(2,17-14(12)16)13-9-6-5-7-10-13/h5-7,9-11H,3-4,8H2,1-2H3/t15-/m1/s1.
What are the key properties of (5R)-3-butyl-5-methyl-5-phenylfuran-2-one?
(5R)-3-butyl-5-methyl-5-phenylfuran-2-one has a molecular weight of 230.31 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-butyl-5-methyl-5-phenylfuran-2-one is sourced from PubChem (CID 171726862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).