2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid

C15H17FO3 — CID 107014523

IUPAC2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1OCC1CC2CCC1C2
InChIInChI=1S/C15H17FO3/c16-12-3-4-13(15(17)18)14(7-12)19-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,17,18)
InChIKeyCETNAVGHSMQPLE-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.34
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid

2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid (PubChem CID 107014523) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid
PubChem CID107014523
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid
SMILESO=C(O)c1ccc(F)cc1OCC1CC2CCC1C2
InChIInChI=1S/C15H17FO3/c16-12-3-4-13(15(17)18)14(7-12)19-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,17,18)
InChIKeyCETNAVGHSMQPLE-UHFFFAOYSA-N
XLogP3.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-bicyclo[2.2.1]heptanylmethoxy)-2-chlorobenzoic acid
CID 106500780
3-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]prop-2-yn-1-ol
CID 79561131
4-fluoro-2-(fluoromethoxy)benzoic acid
CID 175294892
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)-5-fluorophenyl]butan-2-amine
CID 107701303
4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-fluorobenzenesulfonamide
CID 79558786
4-(2-bicyclo[2.2.1]heptanylmethoxy)thiophene-2-carboxylic acid
CID 79554740
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559
3-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-chlorophenyl]prop-2-enoic acid
CID 79563440
3-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-bromophenyl]prop-2-enoic acid
CID 79563441
[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]methanamine
CID 79554484
1-[2-(2-bicyclo[2.2.1]heptanylmethoxy)phenyl]ethanol
CID 79552161

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid (CID 107014523) is 2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid is O=C(O)c1ccc(F)cc1OCC1CC2CCC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid?
The InChIKey is CETNAVGHSMQPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c16-12-3-4-13(15(17)18)14(7-12)19-8-11-6-9-1-2-10(11)5-9/h3-4,7,9-11H,1-2,5-6,8H2,(H,17,18).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid?
2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid has a molecular weight of 264.30 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanylmethoxy)-4-fluorobenzoic acid is sourced from PubChem (CID 107014523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).