methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate

C15H16O3 — CID 71506732

IUPACmethyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate
SMILESC=C1C(C(=O)OC)=C(c2ccccc2)OC1(C)C
InChIInChI=1S/C15H16O3/c1-10-12(14(16)17-4)13(18-15(10,2)3)11-8-6-5-7-9-11/h5-9H,1H2,2-4H3
InChIKeyYWKXIKFSQVJAGU-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.94
Rot. Bonds2

About methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate

methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate (PubChem CID 71506732) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate
PubChem CID71506732
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Namemethyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate
SMILESC=C1C(C(=O)OC)=C(c2ccccc2)OC1(C)C
InChIInChI=1S/C15H16O3/c1-10-12(14(16)17-4)13(18-15(10,2)3)11-8-6-5-7-9-11/h5-9H,1H2,2-4H3
InChIKeyYWKXIKFSQVJAGU-UHFFFAOYSA-N
XLogP2.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetyl-2,2-dimethyl-6-phenyl-1,3-dioxin-4-one
CID 10681851
methyl 5-(ethoxymethyl)-5-methyl-2-oxo-4-phenylfuran-3-carboxylate
CID 134907394
methyl 1-methoxy-3-phenyl-1H-isochromene-4-carboxylate
CID 23248877
methyl 2-methyl-5-oxo-3-phenyl-2H-furan-4-carboxylate
CID 165364058
ethyl 2,2-dimethyl-4-oxo-6-phenyl-3H-pyran-5-carboxylate
CID 12525627
methyl (3R)-3-(4-methoxyphenyl)-2-methylidene-5-phenyl-3H-furan-4-carboxylate
CID 134951212
dimethyl 1,4-dimethyl-5,6-diphenylbicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
CID 13237280
trimethyl 2,4,6,7-tetraphenylcyclohepta-1,4,6-triene-1,3,5-tricarboxylate
CID 132820007
tetramethyl 2,5-dimethyl-3,6-diphenylcyclohexa-2,5-diene-1,1,4,4-tetracarboxylate
CID 101226398
methyl 2,6-dimethyl-4-phenylbenzoate
CID 10376998
methyl 5-oxo-2,3-diphenyl-2H-furan-4-carboxylate
CID 70977330
methyl 2-methyl-4-phenylthiophene-3-carboxylate
CID 162514563

Frequently Asked Questions

What is the IUPAC name of methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate?
The IUPAC name of methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate (CID 71506732) is methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate.
What is the SMILES notation for methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate?
The canonical SMILES for methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate is C=C1C(C(=O)OC)=C(c2ccccc2)OC1(C)C.
What is the InChIKey of methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate?
The InChIKey is YWKXIKFSQVJAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10-12(14(16)17-4)13(18-15(10,2)3)11-8-6-5-7-9-11/h5-9H,1H2,2-4H3.
What are the key properties of methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate?
methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate has a molecular weight of 244.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,5-dimethyl-4-methylidene-2-phenylfuran-3-carboxylate is sourced from PubChem (CID 71506732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).