ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate

C17H24O5 — CID 69423378

IUPACethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate
SMILESCCOC(=O)[C@@H](Cc1ccc(OC2CCCC2O)cc1)OC
InChIInChI=1S/C17H24O5/c1-3-21-17(19)16(20-2)11-12-7-9-13(10-8-12)22-15-6-4-5-14(15)18/h7-10,14-16,18H,3-6,11H2,1-2H3/t14?,15?,16-/m1/s1
InChIKeyRKGLVDFUMFZIMM-UYSNPLJNSA-N
MW308.37 g/mol
LogP2.10
Rot. Bonds7

About ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate

ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate (PubChem CID 69423378) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate
PubChem CID69423378
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Nameethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate
SMILESCCOC(=O)[C@@H](Cc1ccc(OC2CCCC2O)cc1)OC
InChIInChI=1S/C17H24O5/c1-3-21-17(19)16(20-2)11-12-7-9-13(10-8-12)22-15-6-4-5-14(15)18/h7-10,14-16,18H,3-6,11H2,1-2H3/t14?,15?,16-/m1/s1
InChIKeyRKGLVDFUMFZIMM-UYSNPLJNSA-N
XLogP2.10
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl (2S)-2-methoxy-3-(4-methoxyphenyl)propanoate
CID 45101649
2-[4-(2-aminopropyl)phenoxy]cycloheptan-1-ol
CID 115494554
(2S)-3-[4-[(1S,2R)-2-[4-(4-fluorobenzoyl)phenoxy]cyclopentyl]oxyphenyl]-2-methoxypropanoic acid
CID 69422531
ethyl 2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate
CID 69422526
ethyl 3-[4-[2-(5,9-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),3,10-tetraen-7-yl)ethoxy]phenyl]-2-methoxypropanoate
CID 70237466
ethyl 2-methoxy-3-[4-[2-(9H-xanthen-9-yl)ethoxy]phenyl]propanoate
CID 23445976
(2R)-2-ethoxy-N-[4-[(1S,2S)-2-hydroxycyclohexyl]oxyphenyl]propanamide
CID 95772065
2-[4-(2-aminoethyl)phenoxy]cyclohexan-1-ol
CID 106940161
ethyl (2S)-2-methoxy-3-[4-[4-(4-phenylphenoxy)but-1-ynyl]phenyl]propanoate
CID 58822584
ethyl 3-[4-(3-fluoren-9-ylidenepropoxy)phenyl]-2-methoxypropanoate
CID 23445795
2-[4-(2-aminoethyl)phenoxy]cycloheptan-1-ol
CID 106940170
2-[4-(methylaminomethyl)phenoxy]cyclohexan-1-ol
CID 60880419

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate?
The IUPAC name of ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate (CID 69423378) is ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate.
What is the SMILES notation for ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate?
The canonical SMILES for ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate is CCOC(=O)[C@@H](Cc1ccc(OC2CCCC2O)cc1)OC.
What is the InChIKey of ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate?
The InChIKey is RKGLVDFUMFZIMM-UYSNPLJNSA-N. The full InChI is InChI=1S/C17H24O5/c1-3-21-17(19)16(20-2)11-12-7-9-13(10-8-12)22-15-6-4-5-14(15)18/h7-10,14-16,18H,3-6,11H2,1-2H3/t14?,15?,16-/m1/s1.
What are the key properties of ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate?
ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate has a molecular weight of 308.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-3-[4-(2-hydroxycyclopentyl)oxyphenyl]-2-methoxypropanoate is sourced from PubChem (CID 69423378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).