2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate

C21H23O4- — CID 91930719

IUPAC2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate
SMILESCC(C(=O)[O-])c1ccc(C[C@H]2CCC[C@H]2O)cc1-c1ccc(O)cc1
InChIInChI=1S/C21H24O4/c1-13(21(24)25)18-10-5-14(11-16-3-2-4-20(16)23)12-19(18)15-6-8-17(22)9-7-15/h5-10,12-13,16,20,22-23H,2-4,11H2,1H3,(H,24,25)/p-1/t13?,16-,20-/m1/s1
InChIKeyOVRYSRXEAMSVQR-ZWARMNSPSA-M
MW339.41 g/mol
LogP2.62
Rot. Bonds5

About 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate

2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate (PubChem CID 91930719) has the molecular formula C21H23O4- and a molecular weight of 339.41 g/mol. Its IUPAC name is 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate.

Molecular Properties

Compound Name2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate
PubChem CID91930719
Molecular FormulaC21H23O4-
Molecular Weight339.41 g/mol
Exact Mass339.16
IUPAC Name2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate
SMILESCC(C(=O)[O-])c1ccc(C[C@H]2CCC[C@H]2O)cc1-c1ccc(O)cc1
InChIInChI=1S/C21H24O4/c1-13(21(24)25)18-10-5-14(11-16-3-2-4-20(16)23)12-19(18)15-6-8-17(22)9-7-15/h5-10,12-13,16,20,22-23H,2-4,11H2,1H3,(H,24,25)/p-1/t13?,16-,20-/m1/s1
InChIKeyOVRYSRXEAMSVQR-ZWARMNSPSA-M
XLogP2.62
TPSA80.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate with MolForge

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Related Compounds

4-[(2-hydroxycyclohexyl)methyl]phenol
CID 54410536
methyl 2-[2-chloro-4-[[(1S,2R)-2-hydroxycyclopentyl]methyl]phenyl]propanoate
CID 142625776
(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
(3S)-3-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]butan-2-one
CID 167002857
4-[2-[(2-hydroxycyclopentyl)methylamino]propyl]phenol
CID 113322903
2-ethoxy-4-[(2-hydroxycyclohexyl)methyl]phenol
CID 82185867
2-ethoxycarbonyloxypropan-2-yl (2S)-2-[4-[[(1R,2S)-2-hydroxycyclopentyl]methyl]phenyl]propanoate
CID 163882246
4-[[2-[(3,4-dihydroxyphenyl)methyl]cyclopentyl]methyl]benzene-1,2-diol
CID 22168464
2-[3-cyclopropyl-4-(4-hydroxyphenyl)phenyl]propanoic acid
CID 67119146
cis-(1R,2S)-2-[(4-nitrophenyl)methyl]cyclohexan-1-ol
CID 22878261
2-[(4-ethoxyphenyl)methyl]cyclohexan-1-ol
CID 82185878

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate?
The IUPAC name of 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate (CID 91930719) is 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate.
What is the SMILES notation for 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate?
The canonical SMILES for 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate is CC(C(=O)[O-])c1ccc(C[C@H]2CCC[C@H]2O)cc1-c1ccc(O)cc1.
What is the InChIKey of 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate?
The InChIKey is OVRYSRXEAMSVQR-ZWARMNSPSA-M. The full InChI is InChI=1S/C21H24O4/c1-13(21(24)25)18-10-5-14(11-16-3-2-4-20(16)23)12-19(18)15-6-8-17(22)9-7-15/h5-10,12-13,16,20,22-23H,2-4,11H2,1H3,(H,24,25)/p-1/t13?,16-,20-/m1/s1.
What are the key properties of 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate?
2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate has a molecular weight of 339.41 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-2-(4-hydroxyphenyl)phenyl]propanoate is sourced from PubChem (CID 91930719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).