5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid

C15H20O4 — CID 106946294

IUPAC5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid
SMILESCC12CCC(C1)C(C)(C)C2(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H20O4/c1-13(2)9-6-7-14(3,8-9)15(13,18)11-5-4-10(19-11)12(16)17/h4-5,9,18H,6-8H2,1-3H3,(H,16,17)
InChIKeyIIUALXDLWVRFAU-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.01
Rot. Bonds2

About 5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid

5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid (PubChem CID 106946294) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid
PubChem CID106946294
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid
SMILESCC12CCC(C1)C(C)(C)C2(O)c1ccc(C(=O)O)o1
InChIInChI=1S/C15H20O4/c1-13(2)9-6-7-14(3,8-9)15(13,18)11-5-4-10(19-11)12(16)17/h4-5,9,18H,6-8H2,1-3H3,(H,16,17)
InChIKeyIIUALXDLWVRFAU-UHFFFAOYSA-N
XLogP3.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid?
The IUPAC name of 5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid (CID 106946294) is 5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid is CC12CCC(C1)C(C)(C)C2(O)c1ccc(C(=O)O)o1.
What is the InChIKey of 5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid?
The InChIKey is IIUALXDLWVRFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-13(2)9-6-7-14(3,8-9)15(13,18)11-5-4-10(19-11)12(16)17/h4-5,9,18H,6-8H2,1-3H3,(H,16,17).
What are the key properties of 5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid?
5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)furan-2-carboxylic acid is sourced from PubChem (CID 106946294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).