2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid

C15H20O4 — CID 131668289

IUPAC2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CC2CC(O)CC2O)cc1
InChIInChI=1S/C15H20O4/c1-9(15(18)19)11-4-2-10(3-5-11)6-12-7-13(16)8-14(12)17/h2-5,9,12-14,16-17H,6-8H2,1H3,(H,18,19)
InChIKeyCOCTZXJHZDMRKU-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid

2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid (PubChem CID 131668289) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid
PubChem CID131668289
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(CC2CC(O)CC2O)cc1
InChIInChI=1S/C15H20O4/c1-9(15(18)19)11-4-2-10(3-5-11)6-12-7-13(16)8-14(12)17/h2-5,9,12-14,16-17H,6-8H2,1H3,(H,18,19)
InChIKeyCOCTZXJHZDMRKU-UHFFFAOYSA-N
XLogP1.55
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
CID 10037656
2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoic acid
CID 13148395
2-[4-[(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methyl]phenyl]propanoic acid
CID 105346038
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
(3S)-3-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]butan-2-one
CID 167002857
2-[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]phenyl]propanoic acid
CID 105346084
(2R)-2-[4-(sulfanylmethyl)phenyl]propanoic acid
CID 141071561
(2R)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CID 14367773
CID 175760114
CID 175760114
Ibuprofen (sodium)
CID 45052535
2-(4-propylphenyl)propanoic acid
CID 14880971
sodium;hydride;2-[4-[(2-oxocyclopentyl)methyl]phenyl]propanoic acid;hydrate
CID 173000744

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid?
The IUPAC name of 2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid (CID 131668289) is 2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid.
What is the SMILES notation for 2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid?
The canonical SMILES for 2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid is CC(C(=O)O)c1ccc(CC2CC(O)CC2O)cc1.
What is the InChIKey of 2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid?
The InChIKey is COCTZXJHZDMRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-9(15(18)19)11-4-2-10(3-5-11)6-12-7-13(16)8-14(12)17/h2-5,9,12-14,16-17H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid?
2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dihydroxycyclopentyl)methyl]phenyl]propanoic acid is sourced from PubChem (CID 131668289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).