2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid

C19H21FO3 — CID 143636550

IUPAC2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
SMILESCC1(O)C2CC3C(CC(=O)O)(c4ccc(F)cc4)C4CC1C34C2
InChIInChI=1S/C19H21FO3/c1-17(23)11-6-14-18(9-16(21)22,10-2-4-12(20)5-3-10)15-7-13(17)19(14,15)8-11/h2-5,11,13-15,23H,6-9H2,1H3,(H,21,22)
InChIKeyKJXCFRGWBLFPNE-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.97
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid

2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid (PubChem CID 143636550) has the molecular formula C19H21FO3 and a molecular weight of 316.37 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
PubChem CID143636550
Molecular FormulaC19H21FO3
Molecular Weight316.37 g/mol
Exact Mass316.15
IUPAC Name2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
SMILESCC1(O)C2CC3C(CC(=O)O)(c4ccc(F)cc4)C4CC1C34C2
InChIInChI=1S/C19H21FO3/c1-17(23)11-6-14-18(9-16(21)22,10-2-4-12(20)5-3-10)15-7-13(17)19(14,15)8-11/h2-5,11,13-15,23H,6-9H2,1H3,(H,21,22)
InChIKeyKJXCFRGWBLFPNE-UHFFFAOYSA-N
XLogP2.97
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid with MolForge

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Related Compounds

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
[1-(4-Methylphenyl)-5-tetracyclo[5.2.1.03,8.05,8]decanyl] 2,2-difluoropropanoate
CID 91384660
2-[10-Carbamoyl-4-(4-fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636511
2-[(2S,5R)-5-(4-fluorophenyl)-2-hydroxy-5-tricyclo[4.3.0.01,4]nonanyl]acetic acid
CID 143636535
2-[4-(4-Fluorophenyl)-10-oxo-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid
CID 143636577
2-[2-(4-Fluorophenyl)-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
CID 147355065
2-[(1R,2S)-2-(4-fluorophenyl)-1-hydroxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
CID 147936492
2-[4-(4-Fluorophenyl)-4-tetracyclo[5.2.1.03,8.05,8]decanyl]propanedioic acid
CID 149110137
2-[2-(4-Fluorophenyl)-6-oxo-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
CID 153656279
2-[(2S,5S)-2-(4-fluorophenyl)-5-methoxy-2-tricyclo[3.3.1.03,7]nonanyl]acetic acid
CID 153669966
6-(Difluoromethyl)-3-phenyltetracyclo[5.2.1.03,8.05,8]decane-1-carboxylic acid
CID 162754764

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
The IUPAC name of 2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid (CID 143636550) is 2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
The canonical SMILES for 2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid is CC1(O)C2CC3C(CC(=O)O)(c4ccc(F)cc4)C4CC1C34C2.
What is the InChIKey of 2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
The InChIKey is KJXCFRGWBLFPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO3/c1-17(23)11-6-14-18(9-16(21)22,10-2-4-12(20)5-3-10)15-7-13(17)19(14,15)8-11/h2-5,11,13-15,23H,6-9H2,1H3,(H,21,22).
What are the key properties of 2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid?
2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid has a molecular weight of 316.37 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-10-hydroxy-10-methyl-4-tetracyclo[5.2.1.03,8.05,8]decanyl]acetic acid is sourced from PubChem (CID 143636550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).