ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate

C14H20O4 — CID 10015086

IUPACethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
SMILESCCOC(=O)C[C@H](O)CCc1ccc(OC)cc1
InChIInChI=1S/C14H20O4/c1-3-18-14(16)10-12(15)7-4-11-5-8-13(17-2)9-6-11/h5-6,8-9,12,15H,3-4,7,10H2,1-2H3/t12-/m1/s1
InChIKeyZYNIEWOXIXIKRO-GFCCVEGCSA-N
MW252.31 g/mol
LogP1.94
Rot. Bonds7

About ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate

ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate (PubChem CID 10015086) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate.

Molecular Properties

Compound Nameethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
PubChem CID10015086
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Nameethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate
SMILESCCOC(=O)C[C@H](O)CCc1ccc(OC)cc1
InChIInChI=1S/C14H20O4/c1-3-18-14(16)10-12(15)7-4-11-5-8-13(17-2)9-6-11/h5-6,8-9,12,15H,3-4,7,10H2,1-2H3/t12-/m1/s1
InChIKeyZYNIEWOXIXIKRO-GFCCVEGCSA-N
XLogP1.94
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-(fluoromethyl)-5-(4-methoxyphenyl)pentanoate
CID 159573119
ethyl (2R)-2-hydroxy-4-(4-methoxyphenyl)butanoate
CID 102317664
ethyl (3R)-3-hydroxy-4-[(4-methoxyphenyl)methylsulfanyl]butanoate
CID 10859039
ethyl 2-hydroxy-5-(4-methoxyphenyl)-3-methylpentanoate
CID 66289830
ethyl 4-[2-(4-methoxyphenyl)ethyl]-6-methylheptanoate
CID 11472279
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
ethyl 2-[4-(4-methoxyphenyl)butan-2-ylamino]-2-oxoacetate
CID 54351907
ethyl 2-[2-(4-methoxyphenyl)ethylamino]acetate
CID 28574259
ethyl 2-[2-(4-methoxyphenyl)ethylsulfanyl]acetate
CID 78790188
ethyl N-[2-(4-methoxyphenyl)ethyl]-N-methylcarbamate
CID 110287988
1-(4-methoxyphenyl)nonan-3-ol
CID 65444716
methyl (3S)-3-hydroxy-5-phenylpentanoate
CID 11745842

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate?
The IUPAC name of ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate (CID 10015086) is ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate.
What is the SMILES notation for ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate?
The canonical SMILES for ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate is CCOC(=O)C[C@H](O)CCc1ccc(OC)cc1.
What is the InChIKey of ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate?
The InChIKey is ZYNIEWOXIXIKRO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20O4/c1-3-18-14(16)10-12(15)7-4-11-5-8-13(17-2)9-6-11/h5-6,8-9,12,15H,3-4,7,10H2,1-2H3/t12-/m1/s1.
What are the key properties of ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate?
ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate has a molecular weight of 252.31 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-hydroxy-5-(4-methoxyphenyl)pentanoate is sourced from PubChem (CID 10015086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).