(5R)-2,2,5-trimethyl-5-phenylfuran

C13H16O — CID 129396442

IUPAC(5R)-2,2,5-trimethyl-5-phenylfuran
SMILESCC1(C)C=C[C@](C)(c2ccccc2)O1
InChIInChI=1S/C13H16O/c1-12(2)9-10-13(3,14-12)11-7-5-4-6-8-11/h4-10H,1-3H3/t13-/m1/s1
InChIKeyUQWWUPKHKVGJSN-CYBMUJFWSA-N
MW188.27 g/mol
LogP3.27
Rot. Bonds1

About (5R)-2,2,5-trimethyl-5-phenylfuran

(5R)-2,2,5-trimethyl-5-phenylfuran (PubChem CID 129396442) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (5R)-2,2,5-trimethyl-5-phenylfuran.

Molecular Properties

Compound Name(5R)-2,2,5-trimethyl-5-phenylfuran
PubChem CID129396442
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(5R)-2,2,5-trimethyl-5-phenylfuran
SMILESCC1(C)C=C[C@](C)(c2ccccc2)O1
InChIInChI=1S/C13H16O/c1-12(2)9-10-13(3,14-12)11-7-5-4-6-8-11/h4-10H,1-3H3/t13-/m1/s1
InChIKeyUQWWUPKHKVGJSN-CYBMUJFWSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5R)-2,2,5-trimethyl-5-phenylfuran 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

3,6-dimethyl-3,6-diphenylcyclohexa-1,4-diene
CID 618605
3-hydroxy-5-methyl-5-phenylfuran-2-one
CID 14661185
2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane
CID 14959257
(2S,3S)-2,3-dimethyl-3-phenyloxirane-2-carboxylic acid
CID 163625725
(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
CID 129405830
(2S)-2-methyl-2-phenyloxirane
CID 11629614
[(2R)-2-methyl-3,3-diphenyloxiran-2-yl]-phenylmethanone
CID 100931886
(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
CID 15402871
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325
2,3-difluoro-2,3-diphenyloxirane
CID 87247066
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661

Frequently Asked Questions

What is the IUPAC name of (5R)-2,2,5-trimethyl-5-phenylfuran?
The IUPAC name of (5R)-2,2,5-trimethyl-5-phenylfuran (CID 129396442) is (5R)-2,2,5-trimethyl-5-phenylfuran.
What is the SMILES notation for (5R)-2,2,5-trimethyl-5-phenylfuran?
The canonical SMILES for (5R)-2,2,5-trimethyl-5-phenylfuran is CC1(C)C=C[C@](C)(c2ccccc2)O1.
What is the InChIKey of (5R)-2,2,5-trimethyl-5-phenylfuran?
The InChIKey is UQWWUPKHKVGJSN-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16O/c1-12(2)9-10-13(3,14-12)11-7-5-4-6-8-11/h4-10H,1-3H3/t13-/m1/s1.
What are the key properties of (5R)-2,2,5-trimethyl-5-phenylfuran?
(5R)-2,2,5-trimethyl-5-phenylfuran has a molecular weight of 188.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,5-trimethyl-5-phenylfuran is sourced from PubChem (CID 129396442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).