2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid

C15H20O5 — CID 21496336

IUPAC2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid
SMILESO=C(O)CC1C(O)CC(OCc2ccccc2)C1CO
InChIInChI=1S/C15H20O5/c16-8-12-11(6-15(18)19)13(17)7-14(12)20-9-10-4-2-1-3-5-10/h1-5,11-14,16-17H,6-9H2,(H,18,19)
InChIKeyAMCWWHAISMZFOJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.04
Rot. Bonds6

About 2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid

2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid (PubChem CID 21496336) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid
PubChem CID21496336
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid
SMILESO=C(O)CC1C(O)CC(OCc2ccccc2)C1CO
InChIInChI=1S/C15H20O5/c16-8-12-11(6-15(18)19)13(17)7-14(12)20-9-10-4-2-1-3-5-10/h1-5,11-14,16-17H,6-9H2,(H,18,19)
InChIKeyAMCWWHAISMZFOJ-UHFFFAOYSA-N
XLogP1.04
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,3S,5S)-5-methyl-3-phenylmethoxyoxolan-2-yl]acetic acid
CID 23726629
2-(2-phenylmethoxycyclopentyl)acetic acid
CID 115040131
2-(hydroxymethyl)-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid
CID 175740726
2-formyl-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylic acid
CID 174208737
(1S,2S,3S,5R)-3-(hydroxymethyl)-5-phenylmethoxycyclopentane-1,2-diol
CID 125479341
7-[(1R,2S,3R,5S)-2-(hydroxymethyl)-5-(oxan-2-yloxy)-3-phenylmethoxycyclopentyl]heptanoic acid
CID 121447711
[(1S,2S,3R,4S)-2,3,4-tris(phenylmethoxy)cyclopentyl]methanol
CID 23245876
(1R,3R,4S)-3-methyl-4-phenylmethoxycyclopentan-1-ol
CID 134527646
trans-dimethyl (4S,5S)-4,5-bis(phenylmethoxy)cyclohexane-1,2-dicarboxylate
CID 11004179
benzyl (5R)-2-formyl-5-methyl-3-phenylmethoxypyrrolidine-1-carboxylate
CID 154622429
3-[(3S,6R)-3,6-bis(carboxymethyl)-4,5-bis(phenylmethoxy)oxan-2-yl]propanoic acid
CID 134866422
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677

Frequently Asked Questions

What is the IUPAC name of 2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid?
The IUPAC name of 2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid (CID 21496336) is 2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid.
What is the SMILES notation for 2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid?
The canonical SMILES for 2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid is O=C(O)CC1C(O)CC(OCc2ccccc2)C1CO.
What is the InChIKey of 2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid?
The InChIKey is AMCWWHAISMZFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c16-8-12-11(6-15(18)19)13(17)7-14(12)20-9-10-4-2-1-3-5-10/h1-5,11-14,16-17H,6-9H2,(H,18,19).
What are the key properties of 2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid?
2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid has a molecular weight of 280.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-hydroxy-2-(hydroxymethyl)-3-phenylmethoxycyclopentyl]acetic acid is sourced from PubChem (CID 21496336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).