3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid

C17H17FO4 — CID 22261867

IUPAC3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid
SMILESCOc1ccc(CC(C(=O)O)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FO4/c1-22-14-8-2-11(3-9-14)10-15(17(20)21)16(19)12-4-6-13(18)7-5-12/h2-9,15-16,19H,10H2,1H3,(H,20,21)
InChIKeyWIAFBTAYXBVKMX-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.81
Rot. Bonds6

About 3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid

3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid (PubChem CID 22261867) has the molecular formula C17H17FO4 and a molecular weight of 304.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid
PubChem CID22261867
Molecular FormulaC17H17FO4
Molecular Weight304.32 g/mol
Exact Mass304.11
IUPAC Name3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid
SMILESCOc1ccc(CC(C(=O)O)C(O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H17FO4/c1-22-14-8-2-11(3-9-14)10-15(17(20)21)16(19)12-4-6-13(18)7-5-12/h2-9,15-16,19H,10H2,1H3,(H,20,21)
InChIKeyWIAFBTAYXBVKMX-UHFFFAOYSA-N
XLogP2.81
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 69402022
ethyl 2-[(4-fluorophenyl)methyl]-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 22261474
3-(4-fluorophenyl)-2-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-3-hydroxypropanoic acid
CID 22261853
3-(4-fluorophenyl)-3-hydroxy-2-[[3-(trifluoromethoxy)phenyl]methyl]propanoic acid
CID 22261415
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
3-(4-methoxyphenyl)-2-methylpropanoic acid
CID 10535804
(3R,4R)-4-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-4-hydroxybutan-2-one
CID 102347185
N-[1-(4-fluorophenyl)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
CID 22261959
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
(3S)-3-(4-fluorophenyl)-3-(4-methoxyphenyl)propanoate
CID 2038667
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 2713156

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid (CID 22261867) is 3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid is COc1ccc(CC(C(=O)O)C(O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid?
The InChIKey is WIAFBTAYXBVKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO4/c1-22-14-8-2-11(3-9-14)10-15(17(20)21)16(19)12-4-6-13(18)7-5-12/h2-9,15-16,19H,10H2,1H3,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid?
3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid has a molecular weight of 304.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-hydroxy-2-[(4-methoxyphenyl)methyl]propanoic acid is sourced from PubChem (CID 22261867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).