ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate

C18H26O4 — CID 134303215

IUPACethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1CCC[C@H]1[C@@H](O)COCc1ccccc1
InChIInChI=1S/C18H26O4/c1-2-22-18(20)11-15-9-6-10-16(15)17(19)13-21-12-14-7-4-3-5-8-14/h3-5,7-8,15-17,19H,2,6,9-13H2,1H3/t15-,16-,17+/m1/s1
InChIKeyYLRXZKUUAAGOAI-ZACQAIPSSA-N
MW306.40 g/mol
LogP2.93
Rot. Bonds8

About ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate

ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate (PubChem CID 134303215) has the molecular formula C18H26O4 and a molecular weight of 306.40 g/mol. Its IUPAC name is ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate.

Molecular Properties

Compound Nameethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate
PubChem CID134303215
Molecular FormulaC18H26O4
Molecular Weight306.40 g/mol
Exact Mass306.18
IUPAC Nameethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate
SMILESCCOC(=O)C[C@H]1CCC[C@H]1[C@@H](O)COCc1ccccc1
InChIInChI=1S/C18H26O4/c1-2-22-18(20)11-15-9-6-10-16(15)17(19)13-21-12-14-7-4-3-5-8-14/h3-5,7-8,15-17,19H,2,6,9-13H2,1H3/t15-,16-,17+/m1/s1
InChIKeyYLRXZKUUAAGOAI-ZACQAIPSSA-N
XLogP2.93
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(1S,2S)-2-(2-oxo-4-phenylbutyl)cyclopentyl]acetate
CID 154715240
ethyl 2-[(1R,2R)-2-phenylcyclopentyl]acetate
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ethyl (3R,5R)-3,5-dihydroxy-6-phenylmethoxyhexanoate
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ethyl 2-[1-benzyl-2-(phenylmethoxymethyl)pyrrolidin-3-yl]acetate
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ethyl 2-(2-propan-2-ylcyclohexyl)acetate
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CID 100958275
ethyl (2S,3S)-3-hydroxy-2-phenyl-4-phenylmethoxybutanoate
CID 100958276
benzyl 3-(1-hydroxy-2-phenylmethoxyethyl)pyrrolidine-1-carboxylate
CID 143016187
ethyl (2Z)-2-[(5R)-5-[(1S)-1-hydroxy-2-phenylmethoxyethyl]oxolan-2-ylidene]propanoate
CID 15882850
ethyl 2-[(4R,5S,6S)-5-methyl-2-phenyl-6-[(2S)-1-phenylmethoxypropan-2-yl]-1,3-dioxan-4-yl]acetate
CID 11080139
ethyl 2-[2-(4-hydroxyphenyl)cyclopentyl]acetate
CID 20792284
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate?
The IUPAC name of ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate (CID 134303215) is ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate.
What is the SMILES notation for ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate?
The canonical SMILES for ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate is CCOC(=O)C[C@H]1CCC[C@H]1[C@@H](O)COCc1ccccc1.
What is the InChIKey of ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate?
The InChIKey is YLRXZKUUAAGOAI-ZACQAIPSSA-N. The full InChI is InChI=1S/C18H26O4/c1-2-22-18(20)11-15-9-6-10-16(15)17(19)13-21-12-14-7-4-3-5-8-14/h3-5,7-8,15-17,19H,2,6,9-13H2,1H3/t15-,16-,17+/m1/s1.
What are the key properties of ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate?
ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate has a molecular weight of 306.40 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1R,2R)-2-[(1R)-1-hydroxy-2-phenylmethoxyethyl]cyclopentyl]acetate is sourced from PubChem (CID 134303215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).