3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium

C13H17O+ — CID 162435891

IUPAC3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium
SMILESCC1(C)CC(C)(c2ccccc2)[CH+]O1
InChIInChI=1S/C13H17O/c1-12(2)9-13(3,10-14-12)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/q+1
InChIKeyQSCRHCUOPOMJNU-UHFFFAOYSA-N
MW189.28 g/mol
LogP3.30
Rot. Bonds1

About 3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium

3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium (PubChem CID 162435891) has the molecular formula C13H17O+ and a molecular weight of 189.28 g/mol. Its IUPAC name is 3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium.

Molecular Properties

Compound Name3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium
PubChem CID162435891
Molecular FormulaC13H17O+
Molecular Weight189.28 g/mol
Exact Mass189.13
IUPAC Name3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium
SMILESCC1(C)CC(C)(c2ccccc2)[CH+]O1
InChIInChI=1S/C13H17O/c1-12(2)9-13(3,10-14-12)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/q+1
InChIKeyQSCRHCUOPOMJNU-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.28
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
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(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
(1-methyl-2,2-diphenylcyclopropyl)benzene
CID 14338185
2,2,4,4-tetramethyl-1,5-diphenyl-8-oxa-6,7-diselenabicyclo[3.2.1]octane
CID 14959257
(1,3,3-triphenylcyclobutyl)benzene
CID 101271353
(1,3-dibromo-3-methylcyclobutyl)benzene
CID 134897738
(4R)-2,2-dimethyl-4-phenyloxan-4-amine
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3,4-dimethyl-3-phenylmorpholine
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Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium?
The IUPAC name of 3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium (CID 162435891) is 3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium.
What is the SMILES notation for 3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium?
The canonical SMILES for 3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium is CC1(C)CC(C)(c2ccccc2)[CH+]O1.
What is the InChIKey of 3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium?
The InChIKey is QSCRHCUOPOMJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17O/c1-12(2)9-13(3,10-14-12)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/q+1.
What are the key properties of 3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium?
3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium has a molecular weight of 189.28 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-3-phenyl-2,4-dihydrofuran-2-ylium is sourced from PubChem (CID 162435891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).