[(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate

C22H27FO5 — CID 129101483

IUPAC[(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate
SMILESCCCC(=O)OC[C@H](OCCOC)c1cc(F)ccc1OCc1ccccc1
InChIInChI=1S/C22H27FO5/c1-3-7-22(24)28-16-21(26-13-12-25-2)19-14-18(23)10-11-20(19)27-15-17-8-5-4-6-9-17/h4-6,8-11,14,21H,3,7,12-13,15-16H2,1-2H3/t21-/m0/s1
InChIKeyUUZSXDDOMSTORR-NRFANRHFSA-N
MW390.45 g/mol
LogP4.45
Rot. Bonds12

About [(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate

[(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate (PubChem CID 129101483) has the molecular formula C22H27FO5 and a molecular weight of 390.45 g/mol. Its IUPAC name is [(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate.

Molecular Properties

Compound Name[(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate
PubChem CID129101483
Molecular FormulaC22H27FO5
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name[(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate
SMILESCCCC(=O)OC[C@H](OCCOC)c1cc(F)ccc1OCc1ccccc1
InChIInChI=1S/C22H27FO5/c1-3-7-22(24)28-16-21(26-13-12-25-2)19-14-18(23)10-11-20(19)27-15-17-8-5-4-6-9-17/h4-6,8-11,14,21H,3,7,12-13,15-16H2,1-2H3/t21-/m0/s1
InChIKeyUUZSXDDOMSTORR-NRFANRHFSA-N
XLogP4.45
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate 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

2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethanol
CID 129101482
1-(5-fluoro-2-phenylmethoxyphenyl)pentane-1,3-diol
CID 118142400
propyl 3-hydroxy-3-(2-phenylmethoxyphenyl)propanoate
CID 54420934
methyl 2-(2-phenylmethoxyphenyl)propanoate
CID 54327103
benzyl butanoate;propanoic acid
CID 175271849
2-(4-phenylmethoxyphenyl)ethyl butanoate
CID 67494063
methyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate
CID 171251115
ethyl (3R)-3-amino-3-(2-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171214311
[(2S)-3-[benzyl-[(2,4-difluorophenyl)methyl]amino]-2-hydroxypropyl] butanoate
CID 93164825
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1S)-1-[5-fluoro-2-(phenylmethoxymethoxy)phenyl]ethanol
CID 102939866
ethyl 4-(5-fluoro-2-phenylmethoxyphenyl)-2,4-dioxobutanoate
CID 164853346

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate?
The IUPAC name of [(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate (CID 129101483) is [(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate.
What is the SMILES notation for [(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate?
The canonical SMILES for [(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate is CCCC(=O)OC[C@H](OCCOC)c1cc(F)ccc1OCc1ccccc1.
What is the InChIKey of [(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate?
The InChIKey is UUZSXDDOMSTORR-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27FO5/c1-3-7-22(24)28-16-21(26-13-12-25-2)19-14-18(23)10-11-20(19)27-15-17-8-5-4-6-9-17/h4-6,8-11,14,21H,3,7,12-13,15-16H2,1-2H3/t21-/m0/s1.
What are the key properties of [(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate?
[(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate has a molecular weight of 390.45 g/mol, XLogP of 4.45, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(5-fluoro-2-phenylmethoxyphenyl)-2-(2-methoxyethoxy)ethyl] butanoate is sourced from PubChem (CID 129101483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).