ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate

C17H17FO3 — CID 13423264

IUPACethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate
SMILESCCOC(=O)C(C)(O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C17H17FO3/c1-3-21-16(19)17(2,20)13-9-10-14(15(18)11-13)12-7-5-4-6-8-12/h4-11,20H,3H2,1-2H3
InChIKeyMKBZUCHJAYTQKW-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.26
Rot. Bonds4

About ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate

ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate (PubChem CID 13423264) has the molecular formula C17H17FO3 and a molecular weight of 288.32 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate
PubChem CID13423264
Molecular FormulaC17H17FO3
Molecular Weight288.32 g/mol
Exact Mass288.12
IUPAC Nameethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate
SMILESCCOC(=O)C(C)(O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C17H17FO3/c1-3-21-16(19)17(2,20)13-9-10-14(15(18)11-13)12-7-5-4-6-8-12/h4-11,20H,3H2,1-2H3
InChIKeyMKBZUCHJAYTQKW-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 62215035
ethyl (2S)-2-(3,4-difluorophenyl)-2-hydroxypropanoate
CID 94376533
2-[4-(2,4-difluorophenyl)-3-fluorophenyl]-3-ethoxy-2-methyl-3-oxopropanoic acid
CID 21406747
4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid
CID 70500964
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
3-ethoxy-2-(3-fluoro-4-phenylphenyl)-3-oxopropanoic acid
CID 176915568
ethyl 2-(3,5-ditert-butylphenyl)-2-hydroxypropanoate
CID 143309553
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
2-(3-fluoro-4-phenylphenyl)-2-methylpropanedinitrile
CID 175411636
ethyl (2S)-3-hydroxy-2-methyl-2-(3-phenylphenyl)propanoate
CID 155818764
ethyl (3S)-3-(3,4-difluorophenyl)-3-hydroxybutanoate
CID 94425144
3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid
CID 166242302

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate?
The IUPAC name of ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate (CID 13423264) is ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate.
What is the SMILES notation for ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate?
The canonical SMILES for ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate is CCOC(=O)C(C)(O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate?
The InChIKey is MKBZUCHJAYTQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO3/c1-3-21-16(19)17(2,20)13-9-10-14(15(18)11-13)12-7-5-4-6-8-12/h4-11,20H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate?
ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate has a molecular weight of 288.32 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate is sourced from PubChem (CID 13423264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).