3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid

C14H17FO3 — CID 79417998

IUPAC3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)C1CCCC1O
InChIInChI=1S/C14H17FO3/c15-12-6-2-1-4-9(12)8-11(14(17)18)10-5-3-7-13(10)16/h1-2,4,6,10-11,13,16H,3,5,7-8H2,(H,17,18)
InChIKeyHYYQRRMQWFCSCS-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.23
Rot. Bonds4

About 3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid

3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid (PubChem CID 79417998) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid
PubChem CID79417998
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid
SMILESO=C(O)C(Cc1ccccc1F)C1CCCC1O
InChIInChI=1S/C14H17FO3/c15-12-6-2-1-4-9(12)8-11(14(17)18)10-5-3-7-13(10)16/h1-2,4,6,10-11,13,16H,3,5,7-8H2,(H,17,18)
InChIKeyHYYQRRMQWFCSCS-UHFFFAOYSA-N
XLogP2.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-bromophenyl)-2-(2-hydroxycyclopentyl)propanoic acid
CID 79418176
3-(2-bromophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418747
3-(4-chlorophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418786
(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
CID 716319
2-[(2-fluorophenyl)methyl]-3,3-dimethylbutanoic acid
CID 83137365
bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
2-[(2-fluorophenyl)methyl]-3-(oxan-2-yl)propanoic acid
CID 79417997
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
2-[(2-fluorophenyl)methyl]-3-sulfanylpropanoic acid
CID 15673449
1-cyclobutyl-3-(2-fluorophenyl)propan-2-one
CID 65457629
1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene
CID 63544199
(2R)-2-cyano-3-(2-fluorophenyl)propanoic acid
CID 27282051

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid?
The IUPAC name of 3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid (CID 79417998) is 3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid is O=C(O)C(Cc1ccccc1F)C1CCCC1O.
What is the InChIKey of 3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid?
The InChIKey is HYYQRRMQWFCSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c15-12-6-2-1-4-9(12)8-11(14(17)18)10-5-3-7-13(10)16/h1-2,4,6,10-11,13,16H,3,5,7-8H2,(H,17,18).
What are the key properties of 3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid?
3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid has a molecular weight of 252.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)propanoic acid is sourced from PubChem (CID 79417998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).