5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan

C13H16O2 — CID 141282351

IUPAC5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan
SMILESCOc1ccc(C2=CCC(C)(C)O2)cc1
InChIInChI=1S/C13H16O2/c1-13(2)9-8-12(15-13)10-4-6-11(14-3)7-5-10/h4-8H,9H2,1-3H3
InChIKeyMHDHSLUUHAGBDF-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.23
Rot. Bonds2

About 5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan

5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan (PubChem CID 141282351) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan
PubChem CID141282351
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan
SMILESCOc1ccc(C2=CCC(C)(C)O2)cc1
InChIInChI=1S/C13H16O2/c1-13(2)9-8-12(15-13)10-4-6-11(14-3)7-5-10/h4-8H,9H2,1-3H3
InChIKeyMHDHSLUUHAGBDF-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan?
The IUPAC name of 5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan (CID 141282351) is 5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan.
What is the SMILES notation for 5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan?
The canonical SMILES for 5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan is COc1ccc(C2=CCC(C)(C)O2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan?
The InChIKey is MHDHSLUUHAGBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(2)9-8-12(15-13)10-4-6-11(14-3)7-5-10/h4-8H,9H2,1-3H3.
What are the key properties of 5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan?
5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan has a molecular weight of 204.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-2,2-dimethyl-3H-furan is sourced from PubChem (CID 141282351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).