3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid

C15H12ClFO3 — CID 83952263

IUPAC3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFO3/c16-13-8-9(1-6-14(13)18)7-12(15(19)20)10-2-4-11(17)5-3-10/h1-6,8,12,18H,7H2,(H,19,20)
InChIKeyIKXFUKBRIWOGNU-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.60
Rot. Bonds4

About 3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid

3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid (PubChem CID 83952263) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
PubChem CID83952263
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
SMILESO=C(O)C(Cc1ccc(O)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C15H12ClFO3/c16-13-8-9(1-6-14(13)18)7-12(15(19)20)10-2-4-11(17)5-3-10/h1-6,8,12,18H,7H2,(H,19,20)
InChIKeyIKXFUKBRIWOGNU-UHFFFAOYSA-N
XLogP3.60
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-4-hydroxyphenyl)-2-(4-ethylphenyl)propanoic acid
CID 83952274
2,3-bis(3,4-dichlorophenyl)propanoic acid
CID 131874584
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
3-(3-chloro-5-ethoxy-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid
CID 83953274
3-(6-chloro-3-pyridinyl)-2-(4-fluorophenyl)propanoic acid
CID 83066559
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
2-chloro-3-(3-chloro-4-hydroxyphenyl)-1-phenylpropan-1-one
CID 82185150
2-[(3,4-dichlorophenyl)methyl]-3-(4-fluorophenyl)propanoic acid
CID 60793915
3-(3-chlorothiophen-2-yl)-2-(4-fluorophenyl)propanoic acid
CID 112749439
3-(3-chloro-4-hydroxyphenyl)-2-(4-methoxy-2-methylphenyl)propanoic acid
CID 83952270
2-(4-fluorophenyl)-3-(4-methoxy-3-propoxyphenyl)propanoic acid
CID 82160495

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid?
The IUPAC name of 3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid (CID 83952263) is 3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for 3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid?
The canonical SMILES for 3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid is O=C(O)C(Cc1ccc(O)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of 3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid?
The InChIKey is IKXFUKBRIWOGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c16-13-8-9(1-6-14(13)18)7-12(15(19)20)10-2-4-11(17)5-3-10/h1-6,8,12,18H,7H2,(H,19,20).
What are the key properties of 3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid?
3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid has a molecular weight of 294.71 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-hydroxyphenyl)-2-(4-fluorophenyl)propanoic acid is sourced from PubChem (CID 83952263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).