[2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate

C22H22O3 — CID 177265976

IUPAC[2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC2(c3cccc(O)c3)CC3CCC2C3)cc1
InChIInChI=1S/C22H22O3/c1-2-15-6-9-17(10-7-15)21(24)25-22(14-16-8-11-19(22)12-16)18-4-3-5-20(23)13-18/h2-7,9-10,13,16,19,23H,1,8,11-12,14H2
InChIKeyKCKULIACVQHEGS-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.91
Rot. Bonds4

About [2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate

[2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate (PubChem CID 177265976) has the molecular formula C22H22O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate.

Molecular Properties

Compound Name[2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate
PubChem CID177265976
Molecular FormulaC22H22O3
Molecular Weight334.42 g/mol
Exact Mass334.16
IUPAC Name[2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate
SMILESC=Cc1ccc(C(=O)OC2(c3cccc(O)c3)CC3CCC2C3)cc1
InChIInChI=1S/C22H22O3/c1-2-15-6-9-17(10-7-15)21(24)25-22(14-16-8-11-19(22)12-16)18-4-3-5-20(23)13-18/h2-7,9-10,13,16,19,23H,1,8,11-12,14H2
InChIKeyKCKULIACVQHEGS-UHFFFAOYSA-N
XLogP4.91
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate?
The IUPAC name of [2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate (CID 177265976) is [2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate.
What is the SMILES notation for [2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate?
The canonical SMILES for [2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate is C=Cc1ccc(C(=O)OC2(c3cccc(O)c3)CC3CCC2C3)cc1.
What is the InChIKey of [2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate?
The InChIKey is KCKULIACVQHEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O3/c1-2-15-6-9-17(10-7-15)21(24)25-22(14-16-8-11-19(22)12-16)18-4-3-5-20(23)13-18/h2-7,9-10,13,16,19,23H,1,8,11-12,14H2.
What are the key properties of [2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate?
[2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate has a molecular weight of 334.42 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxyphenyl)-2-bicyclo[2.2.1]heptanyl] 4-ethenylbenzoate is sourced from PubChem (CID 177265976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).