2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid

C17H21FO3 — CID 59442480

IUPAC2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid
SMILESCC1(O)CC2CCC(C1)C2(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C17H21FO3/c1-16(21)8-12-2-3-13(9-16)17(12,10-15(19)20)11-4-6-14(18)7-5-11/h4-7,12-13,21H,2-3,8-10H2,1H3,(H,19,20)
InChIKeyZIPQBEDKUXNHCW-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.11
Rot. Bonds3

About 2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid

2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid (PubChem CID 59442480) has the molecular formula C17H21FO3 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid.

Molecular Properties

Compound Name2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid
PubChem CID59442480
Molecular FormulaC17H21FO3
Molecular Weight292.35 g/mol
Exact Mass292.15
IUPAC Name2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid
SMILESCC1(O)CC2CCC(C1)C2(CC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C17H21FO3/c1-16(21)8-12-2-3-13(9-16)17(12,10-15(19)20)11-4-6-14(18)7-5-11/h4-7,12-13,21H,2-3,8-10H2,1H3,(H,19,20)
InChIKeyZIPQBEDKUXNHCW-UHFFFAOYSA-N
XLogP3.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(4-Fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 24945240
2-[3-(4-Fluorophenyl)-3-bicyclo[3.2.1]octanyl]acetic acid
CID 24945242
2-[2-(4-Fluorophenyl)-5-methoxy-2-adamantyl]acetic acid
CID 24945403
3-Phenyl-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44332279
3-(4-Fluoro-phenyl)-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester
CID 44332309
2-[2-(4-Fluorophenyl)-5-hydroxy-2-adamantyl]acetic acid
CID 57396248
2,2,3-Trimethyl-4-phenylcyclopentanecarboxylic acid
CID 4529220
2-(2-fluorophenyl)-1-[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CID 121292062
2-(2-fluorophenyl)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CID 121292131
2-(3-fluorophenyl)-1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethanone
CID 166611762
(1R,3S,4R)-2,2,3-trimethyl-4-phenylcyclopentane-1-carboxylic acid
CID 24982159
Endiandric acid C
CID 72710726

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid?
The IUPAC name of 2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid (CID 59442480) is 2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid.
What is the SMILES notation for 2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid?
The canonical SMILES for 2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid is CC1(O)CC2CCC(C1)C2(CC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid?
The InChIKey is ZIPQBEDKUXNHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FO3/c1-16(21)8-12-2-3-13(9-16)17(12,10-15(19)20)11-4-6-14(18)7-5-11/h4-7,12-13,21H,2-3,8-10H2,1H3,(H,19,20).
What are the key properties of 2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid?
2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid has a molecular weight of 292.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid is sourced from PubChem (CID 59442480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).