4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan

C13H14O — CID 101384462

IUPAC4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan
SMILES[2H]/C=C/C1=CCOC1(C)c1ccccc1
InChIInChI=1S/C13H14O/c1-3-11-9-10-14-13(11,2)12-7-5-4-6-8-12/h3-9H,1,10H2,2H3/i1D/b3-1+
InChIKeyKFYPHCIBZTZQBW-BAIDXPIQSA-N
MW187.26 g/mol
LogP3.04
Rot. Bonds2

About 4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan

4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan (PubChem CID 101384462) has the molecular formula C13H14O and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan.

Molecular Properties

Compound Name4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan
PubChem CID101384462
Molecular FormulaC13H14O
Molecular Weight187.26 g/mol
Exact Mass187.11
IUPAC Name4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan
SMILES[2H]/C=C/C1=CCOC1(C)c1ccccc1
InChIInChI=1S/C13H14O/c1-3-11-9-10-14-13(11,2)12-7-5-4-6-8-12/h3-9H,1,10H2,2H3/i1D/b3-1+
InChIKeyKFYPHCIBZTZQBW-BAIDXPIQSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan?
The IUPAC name of 4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan (CID 101384462) is 4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan.
What is the SMILES notation for 4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan?
The canonical SMILES for 4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan is [2H]/C=C/C1=CCOC1(C)c1ccccc1.
What is the InChIKey of 4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan?
The InChIKey is KFYPHCIBZTZQBW-BAIDXPIQSA-N. The full InChI is InChI=1S/C13H14O/c1-3-11-9-10-14-13(11,2)12-7-5-4-6-8-12/h3-9H,1,10H2,2H3/i1D/b3-1+.
What are the key properties of 4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan?
4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan has a molecular weight of 187.26 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-deuterioethenyl)-5-methyl-5-phenyl-2H-furan is sourced from PubChem (CID 101384462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).