2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid

C17H19FO3 — CID 147936492

IUPAC2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
SMILESO=C(O)C[C@@]1(c2ccc(F)cc2)C2CC3CC2C[C@]1(O)C3
InChIInChI=1S/C17H19FO3/c18-13-3-1-12(2-4-13)17(9-15(19)20)14-6-10-5-11(14)8-16(17,21)7-10/h1-4,10-11,14,21H,5-9H2,(H,19,20)/t10?,11?,14?,16-,17-/m1/s1
InChIKeyIKWYMDCQWKMXAL-XKZFLYBJSA-N
MW290.33 g/mol
LogP2.72
Rot. Bonds3

About 2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid

2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid (PubChem CID 147936492) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid.

Molecular Properties

Compound Name2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
PubChem CID147936492
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
SMILESO=C(O)C[C@@]1(c2ccc(F)cc2)C2CC3CC2C[C@]1(O)C3
InChIInChI=1S/C17H19FO3/c18-13-3-1-12(2-4-13)17(9-15(19)20)14-6-10-5-11(14)8-16(17,21)7-10/h1-4,10-11,14,21H,5-9H2,(H,19,20)/t10?,11?,14?,16-,17-/m1/s1
InChIKeyIKWYMDCQWKMXAL-XKZFLYBJSA-N
XLogP2.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid with MolForge

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Related Compounds

2-[2-(4-Fluorophenyl)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 24945240
(2-Hydroxybicyclo(2.2.1)heptan-2-yl)(phenyl)acetic acid
CID 32252
2-Phenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 44151790
2-[2-(4-Fluorophenyl)-1-hydroxy-2-adamantyl]acetic acid
CID 57399705
(2-Propyl-2-bicyclo[2.2.1]heptanyl) 6-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-2,2-dimethyloctanoate
CID 58734380
2-[(2S)-2-(4-fluorophenyl)-1-hydroxy-2-adamantyl]acetic acid
CID 59337180
2-[8-(4-Fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid
CID 59442480
2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid
CID 71128950
2-[4-(4-Fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636550
2-[2-(4-Fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
CID 147355065
2-[(2S)-2-(4-fluorophenyl)-4-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
CID 148509738
2-[(2S,5S,7S)-2-(4-fluorophenyl)-5,7-dihydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
CID 148621895

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
The IUPAC name of 2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid (CID 147936492) is 2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid.
What is the SMILES notation for 2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
The canonical SMILES for 2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid is O=C(O)C[C@@]1(c2ccc(F)cc2)C2CC3CC2C[C@]1(O)C3.
What is the InChIKey of 2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
The InChIKey is IKWYMDCQWKMXAL-XKZFLYBJSA-N. The full InChI is InChI=1S/C17H19FO3/c18-13-3-1-12(2-4-13)17(9-15(19)20)14-6-10-5-11(14)8-16(17,21)7-10/h1-4,10-11,14,21H,5-9H2,(H,19,20)/t10?,11?,14?,16-,17-/m1/s1.
What are the key properties of 2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid?
2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid has a molecular weight of 290.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid is sourced from PubChem (CID 147936492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).