2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid

C22H22FNO3 — CID 123579537

IUPAC2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid
SMILESO=C(O)C(c1ccc(Cn2cc3c(F)cccc3c2O)cc1)C1CCCC1
InChIInChI=1S/C22H22FNO3/c23-19-7-3-6-17-18(19)13-24(21(17)25)12-14-8-10-16(11-9-14)20(22(26)27)15-4-1-2-5-15/h3,6-11,13,15,20,25H,1-2,4-5,12H2,(H,26,27)
InChIKeySOSAALCVYQWXRE-UHFFFAOYSA-N
MW367.42 g/mol
LogP4.89
Rot. Bonds5

About 2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid

2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid (PubChem CID 123579537) has the molecular formula C22H22FNO3 and a molecular weight of 367.42 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid
PubChem CID123579537
Molecular FormulaC22H22FNO3
Molecular Weight367.42 g/mol
Exact Mass367.16
IUPAC Name2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid
SMILESO=C(O)C(c1ccc(Cn2cc3c(F)cccc3c2O)cc1)C1CCCC1
InChIInChI=1S/C22H22FNO3/c23-19-7-3-6-17-18(19)13-24(21(17)25)12-14-8-10-16(11-9-14)20(22(26)27)15-4-1-2-5-15/h3,6-11,13,15,20,25H,1-2,4-5,12H2,(H,26,27)
InChIKeySOSAALCVYQWXRE-UHFFFAOYSA-N
XLogP4.89
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
2-[(4-Fluorophenyl)methyl]-7-iodoisoindol-1-ol
CID 90733817
2-[[4-(Trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90773222
2-[3-(2,4-Difluorophenyl)propyl]isoindol-1-ol
CID 90794714
2-Benzyl-6-fluoroisoindol-1-ol
CID 90795823
2-[3-[3-(Trifluoromethyl)phenyl]propyl]isoindol-1-ol
CID 90805338
2-(Cyclopropylmethyl)-5-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methylisoindol-1-ol
CID 90838048
4-[(5-Fluoro-1-hydroxy-7-methylisoindol-2-yl)methyl]benzonitrile
CID 90838411
5-Fluoro-7-methyl-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90878820
5-Fluoro-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90893129
2-[(4-Fluorophenyl)methyl]isoindol-1-ol
CID 90979896
2-(Cyclopropylmethyl)-5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-7-methylisoindol-1-ol
CID 90989628

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid?
The IUPAC name of 2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid (CID 123579537) is 2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid?
The canonical SMILES for 2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid is O=C(O)C(c1ccc(Cn2cc3c(F)cccc3c2O)cc1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid?
The InChIKey is SOSAALCVYQWXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO3/c23-19-7-3-6-17-18(19)13-24(21(17)25)12-14-8-10-16(11-9-14)20(22(26)27)15-4-1-2-5-15/h3,6-11,13,15,20,25H,1-2,4-5,12H2,(H,26,27).
What are the key properties of 2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid?
2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid has a molecular weight of 367.42 g/mol, XLogP of 4.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-[(4-fluoro-1-hydroxyisoindol-2-yl)methyl]phenyl]acetic acid is sourced from PubChem (CID 123579537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).