2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid

C26H27FO3 — CID 153234852

IUPAC2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid
SMILESC[C@@H](CC1CCC(c2ccc(OCC(=O)O)c(F)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H27FO3/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)13-18-9-10-20(14-18)21-11-12-25(24(27)15-21)30-16-26(28)29/h2-8,11-12,15,17-18,20H,9-10,13-14,16H2,1H3,(H,28,29)/t17-,18?,20?/m0/s1
InChIKeyWQHANFBCXDZDMJ-ZJRDLVKKSA-N
MW406.50 g/mol
LogP6.52
Rot. Bonds7

About 2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid

2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid (PubChem CID 153234852) has the molecular formula C26H27FO3 and a molecular weight of 406.50 g/mol. Its IUPAC name is 2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid
PubChem CID153234852
Molecular FormulaC26H27FO3
Molecular Weight406.50 g/mol
Exact Mass406.19
IUPAC Name2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid
SMILESC[C@@H](CC1CCC(c2ccc(OCC(=O)O)c(F)c2)C1)c1cccc2ccccc12
InChIInChI=1S/C26H27FO3/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)13-18-9-10-20(14-18)21-11-12-25(24(27)15-21)30-16-26(28)29/h2-8,11-12,15,17-18,20H,9-10,13-14,16H2,1H3,(H,28,29)/t17-,18?,20?/m0/s1
InChIKeyWQHANFBCXDZDMJ-ZJRDLVKKSA-N
XLogP6.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]acetic acid
CID 147632875
2-methyl-2-[3-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 157186963
2-methyl-2-[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]propanoic acid
CID 161070660
ethyl 2-[2-fluoro-4-[(1R,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetate
CID 67296309
2-[2-methyl-4-[(1R)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclopentyl]phenoxy]acetic acid
CID 143943984
4-[4-[(1R,3R)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenyl]butan-2-one
CID 149010744
carbon dioxide;1-[(2S)-1-[(1R,3R)-3-(4-ethylphenyl)cyclopentyl]propan-2-yl]naphthalene
CID 158857640
5-[[4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]methyl]-2H-tetrazole
CID 148712553
1-[4-[(1R)-3-[(2S)-2-(4-methylnaphthalen-1-yl)propyl]cyclopentyl]phenoxy]propan-2-one
CID 158711749
(4-ethoxy-3,5-difluorophenyl) 2-fluoro-4-[4-(2-phenylpropyl)cyclohexyl]benzoate
CID 21053041
5-[3-[(1R,3S)-3-[(2S)-2-naphthalen-1-ylpropyl]cyclohexyl]phenyl]-2H-tetrazole
CID 159923750
2-(4-ethoxy-3-fluorophenyl)-1,3-difluoro-5-[4-(2-phenylpropyl)cyclohexyl]benzene
CID 21052696

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid (CID 153234852) is 2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid is C[C@@H](CC1CCC(c2ccc(OCC(=O)O)c(F)c2)C1)c1cccc2ccccc12.
What is the InChIKey of 2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid?
The InChIKey is WQHANFBCXDZDMJ-ZJRDLVKKSA-N. The full InChI is InChI=1S/C26H27FO3/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)13-18-9-10-20(14-18)21-11-12-25(24(27)15-21)30-16-26(28)29/h2-8,11-12,15,17-18,20H,9-10,13-14,16H2,1H3,(H,28,29)/t17-,18?,20?/m0/s1.
What are the key properties of 2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid?
2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid has a molecular weight of 406.50 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[3-[(2S)-2-naphthalen-1-ylpropyl]cyclopentyl]phenoxy]acetic acid is sourced from PubChem (CID 153234852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).