ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate

C16H23FO3 — CID 115997209

IUPACethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate
SMILESCCCC(C(=O)OCC)C(O)(CC)c1ccccc1F
InChIInChI=1S/C16H23FO3/c1-4-9-13(15(18)20-6-3)16(19,5-2)12-10-7-8-11-14(12)17/h7-8,10-11,13,19H,4-6,9H2,1-3H3
InChIKeyRXKLZKDUGCZKBV-UHFFFAOYSA-N
MW282.36 g/mol
LogP3.40
Rot. Bonds7

About ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate

ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate (PubChem CID 115997209) has the molecular formula C16H23FO3 and a molecular weight of 282.36 g/mol. Its IUPAC name is ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate.

Molecular Properties

Compound Nameethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate
PubChem CID115997209
Molecular FormulaC16H23FO3
Molecular Weight282.36 g/mol
Exact Mass282.16
IUPAC Nameethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate
SMILESCCCC(C(=O)OCC)C(O)(CC)c1ccccc1F
InChIInChI=1S/C16H23FO3/c1-4-9-13(15(18)20-6-3)16(19,5-2)12-10-7-8-11-14(12)17/h7-8,10-11,13,19H,4-6,9H2,1-3H3
InChIKeyRXKLZKDUGCZKBV-UHFFFAOYSA-N
XLogP3.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate 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

ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
CID 83039272
4-(aminomethyl)-3-(2-fluorophenyl)hexan-3-ol
CID 112680356
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoate
CID 67913094
2-ethoxycarbonyl-2-(2-fluorophenyl)-4-methylpentanoic acid
CID 103974974
diethyl 2-(2-fluorophenyl)propanedioate
CID 22325508
1,1-bis(2-fluorophenyl)propan-1-ol
CID 112679425
5-ethoxy-4-(2-fluorophenyl)-5-oxopentanoic acid
CID 10890444
diethyl 2-benzyl-2-(2-fluorophenyl)propanedioate
CID 114982602
2-ethoxycarbonyl-2-(2-fluorophenyl)pent-4-enoic acid
CID 103974975
ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate
CID 102079184
ethyl 2-[2-(trifluoromethoxy)phenyl]pentanoate
CID 83043039
ethyl (2R,3R)-2-fluoro-3-(2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 126693356

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate?
The IUPAC name of ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate (CID 115997209) is ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate.
What is the SMILES notation for ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate?
The canonical SMILES for ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate is CCCC(C(=O)OCC)C(O)(CC)c1ccccc1F.
What is the InChIKey of ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate?
The InChIKey is RXKLZKDUGCZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO3/c1-4-9-13(15(18)20-6-3)16(19,5-2)12-10-7-8-11-14(12)17/h7-8,10-11,13,19H,4-6,9H2,1-3H3.
What are the key properties of ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate?
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate has a molecular weight of 282.36 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluorophenyl)-3-hydroxy-2-propylpentanoate is sourced from PubChem (CID 115997209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).