2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate

C16H20O3 — CID 150736064

IUPAC2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate
SMILESCC(C(=O)OC1CC2CCC1C2)c1ccc(O)cc1
InChIInChI=1S/C16H20O3/c1-10(12-4-6-14(17)7-5-12)16(18)19-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15,17H,2-3,8-9H2,1H3
InChIKeyJSVVPILLMVKHOJ-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.23
Rot. Bonds3

About 2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate

2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate (PubChem CID 150736064) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate
PubChem CID150736064
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate
SMILESCC(C(=O)OC1CC2CCC1C2)c1ccc(O)cc1
InChIInChI=1S/C16H20O3/c1-10(12-4-6-14(17)7-5-12)16(18)19-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15,17H,2-3,8-9H2,1H3
InChIKeyJSVVPILLMVKHOJ-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate (CID 150736064) is 2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate is CC(C(=O)OC1CC2CCC1C2)c1ccc(O)cc1.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate?
The InChIKey is JSVVPILLMVKHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-10(12-4-6-14(17)7-5-12)16(18)19-15-9-11-2-3-13(15)8-11/h4-7,10-11,13,15,17H,2-3,8-9H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate?
2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate has a molecular weight of 260.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl 2-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 150736064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).