2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane

C19H28O3 — CID 144677334

IUPAC2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane
SMILESCC1CC2CCC1(C)C2(C)C.O=C(O)COc1ccccc1
InChIInChI=1S/C11H20.C8H8O3/c1-8-7-9-5-6-11(8,4)10(9,2)3;9-8(10)6-11-7-4-2-1-3-5-7/h8-9H,5-7H2,1-4H3;1-5H,6H2,(H,9,10)
InChIKeyZTHMUTHATLYYSD-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.62
Rot. Bonds3

About 2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane

2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane (PubChem CID 144677334) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane
PubChem CID144677334
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane
SMILESCC1CC2CCC1(C)C2(C)C.O=C(O)COc1ccccc1
InChIInChI=1S/C11H20.C8H8O3/c1-8-7-9-5-6-11(8,4)10(9,2)3;9-8(10)6-11-7-4-2-1-3-5-7/h8-9H,5-7H2,1-4H3;1-5H,6H2,(H,9,10)
InChIKeyZTHMUTHATLYYSD-UHFFFAOYSA-N
XLogP4.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The IUPAC name of 2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane (CID 144677334) is 2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The canonical SMILES for 2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane is CC1CC2CCC1(C)C2(C)C.O=C(O)COc1ccccc1.
What is the InChIKey of 2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane?
The InChIKey is ZTHMUTHATLYYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C8H8O3/c1-8-7-9-5-6-11(8,4)10(9,2)3;9-8(10)6-11-7-4-2-1-3-5-7/h8-9H,5-7H2,1-4H3;1-5H,6H2,(H,9,10).
What are the key properties of 2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane?
2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane has a molecular weight of 304.43 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyacetic acid;1,2,7,7-tetramethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 144677334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).