ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate

C15H20O5 — CID 11608861

IUPACethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate
SMILESCCOC(=O)C[C@H](CCc1ccc(O)cc1)OC(C)=O
InChIInChI=1S/C15H20O5/c1-3-19-15(18)10-14(20-11(2)16)9-6-12-4-7-13(17)8-5-12/h4-5,7-8,14,17H,3,6,9-10H2,1-2H3/t14-/m0/s1
InChIKeyKIHREBPBKASOMN-AWEZNQCLSA-N
MW280.32 g/mol
LogP2.21
Rot. Bonds7

About ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate

ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate (PubChem CID 11608861) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate.

Molecular Properties

Compound Nameethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate
PubChem CID11608861
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Nameethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate
SMILESCCOC(=O)C[C@H](CCc1ccc(O)cc1)OC(C)=O
InChIInChI=1S/C15H20O5/c1-3-19-15(18)10-14(20-11(2)16)9-6-12-4-7-13(17)8-5-12/h4-5,7-8,14,17H,3,6,9-10H2,1-2H3/t14-/m0/s1
InChIKeyKIHREBPBKASOMN-AWEZNQCLSA-N
XLogP2.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Hydroxyphenylacetic acid
CID 127
4-(4'-Hydroxyphenyl)-2-butanone
CID 21648
3-(4-Hydroxyphenyl)propionic acid
CID 10394
4-Hydroxyphenylpyruvic Acid
CID 979
(+-)-3-(4-Hydroxyphenyl)lactic acid
CID 9378
4,4'-Bis(4-hydroxyphenyl)valeric acid
CID 67174
3-(3-Hydroxyphenyl)-3-hydroxypropionic acid
CID 102959
Octadecyl DI-tert-butyl-4-hydroxyhydrocinnamate
CID 16386
Benzenepropanoic acid, 4-hydroxy-, methyl ester
CID 79706
(+-)-4-Hydroxymandelic acid
CID 328
Oleocanthal
CID 11652416
2-(4-Hydroxyphenyl)propionic acid
CID 102526

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate?
The IUPAC name of ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate (CID 11608861) is ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate.
What is the SMILES notation for ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate?
The canonical SMILES for ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate is CCOC(=O)C[C@H](CCc1ccc(O)cc1)OC(C)=O.
What is the InChIKey of ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate?
The InChIKey is KIHREBPBKASOMN-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H20O5/c1-3-19-15(18)10-14(20-11(2)16)9-6-12-4-7-13(17)8-5-12/h4-5,7-8,14,17H,3,6,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate?
ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate has a molecular weight of 280.32 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-acetyloxy-5-(4-hydroxyphenyl)pentanoate is sourced from PubChem (CID 11608861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).