2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid

C17H19FO3 — CID 143636535

IUPAC2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid
SMILESO=C(O)C[C@@]1(c2ccc(F)cc2)C2CCCC23C1C[C@@H]3O
InChIInChI=1S/C17H19FO3/c18-11-5-3-10(4-6-11)17(9-15(20)21)12-2-1-7-16(12)13(17)8-14(16)19/h3-6,12-14,19H,1-2,7-9H2,(H,20,21)/t12?,13?,14-,16?,17+/m0/s1
InChIKeyHDFBQTBMEFDJLA-CDZPMVSRSA-N
MW290.33 g/mol
LogP2.72
Rot. Bonds3

About 2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid

2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid (PubChem CID 143636535) has the molecular formula C17H19FO3 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid.

Molecular Properties

Compound Name2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid
PubChem CID143636535
Molecular FormulaC17H19FO3
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid
SMILESO=C(O)C[C@@]1(c2ccc(F)cc2)C2CCCC23C1C[C@@H]3O
InChIInChI=1S/C17H19FO3/c18-11-5-3-10(4-6-11)17(9-15(20)21)12-2-1-7-16(12)13(17)8-14(16)19/h3-6,12-14,19H,1-2,7-9H2,(H,20,21)/t12?,13?,14-,16?,17+/m0/s1
InChIKeyHDFBQTBMEFDJLA-CDZPMVSRSA-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-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid with MolForge

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Related Compounds

2-[9-(4-Fluorophenyl)-3-hydroxy-9-bicyclo[3.3.1]nonanyl]acetic acid
CID 57394414
2-[8-(4-Fluorophenyl)-3-methylidene-8-bicyclo[3.2.1]octanyl]acetic acid
CID 59336879
2-[8-(4-Fluorophenyl)-3-oxo-8-bicyclo[3.2.1]octanyl]acetic acid
CID 59337011
2-[8-(4-Fluorophenyl)-3-hydroxy-8-bicyclo[3.2.1]octanyl]acetic acid
CID 59337202
2-[8-(4-Fluorophenyl)-3-hydroxy-3-methyl-8-bicyclo[3.2.1]octanyl]acetic acid
CID 59442480
2-[(1R,4S)-1-(4-fluorophenyl)-4-hydroxy-2-methyl-6-propylcyclohexyl]acetic acid
CID 71128907
2-[(10S)-4-(3-fluorophenyl)-10-hydroxy-4-tricyclo[5.2.1.03,8]decanyl]acetic acid
CID 71128950
2-[(2S)-2-(4-fluorophenyl)-3-[(2R)-2-hydroxypropyl]-2-bicyclo[2.2.0]hexanyl]acetic acid
CID 71129791
2-[7-[(2-Fluorophenyl)methyl]-2-hydroxy-7-tetracyclo[6.2.1.03,5.05,9]undecanyl]acetaldehyde
CID 118370537
2-[8-(4-Fluorophenyl)-8-bicyclo[3.2.1]octanyl]acetic acid
CID 118370547
2-[(1S,5S)-9-(4-fluorophenyl)-3-hydroxy-9-bicyclo[3.3.1]nonanyl]acetic acid
CID 140529339
2-[4-(4-Fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636550

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid?
The IUPAC name of 2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid (CID 143636535) is 2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid.
What is the SMILES notation for 2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid?
The canonical SMILES for 2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid is O=C(O)C[C@@]1(c2ccc(F)cc2)C2CCCC23C1C[C@@H]3O.
What is the InChIKey of 2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid?
The InChIKey is HDFBQTBMEFDJLA-CDZPMVSRSA-N. The full InChI is InChI=1S/C17H19FO3/c18-11-5-3-10(4-6-11)17(9-15(20)21)12-2-1-7-16(12)13(17)8-14(16)19/h3-6,12-14,19H,1-2,7-9H2,(H,20,21)/t12?,13?,14-,16?,17+/m0/s1.
What are the key properties of 2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid?
2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]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-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid is sourced from PubChem (CID 143636535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).