2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid

C21H25FO3 — CID 67483329

IUPAC2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid
SMILESCC(C)c1cc(-c2ccc(F)cc2)c(C(CO)C(=O)O)c(C(C)C)c1
InChIInChI=1S/C21H25FO3/c1-12(2)15-9-17(13(3)4)20(19(11-23)21(24)25)18(10-15)14-5-7-16(22)8-6-14/h5-10,12-13,19,23H,11H2,1-4H3,(H,24,25)
InChIKeyZAYGNMKIVVTYNF-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.90
Rot. Bonds6

About 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid

2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid (PubChem CID 67483329) has the molecular formula C21H25FO3 and a molecular weight of 344.43 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid
PubChem CID67483329
Molecular FormulaC21H25FO3
Molecular Weight344.43 g/mol
Exact Mass344.18
IUPAC Name2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid
SMILESCC(C)c1cc(-c2ccc(F)cc2)c(C(CO)C(=O)O)c(C(C)C)c1
InChIInChI=1S/C21H25FO3/c1-12(2)15-9-17(13(3)4)20(19(11-23)21(24)25)18(10-15)14-5-7-16(22)8-6-14/h5-10,12-13,19,23H,11H2,1-4H3,(H,24,25)
InChIKeyZAYGNMKIVVTYNF-UHFFFAOYSA-N
XLogP4.90
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid?
The IUPAC name of 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid (CID 67483329) is 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid is CC(C)c1cc(-c2ccc(F)cc2)c(C(CO)C(=O)O)c(C(C)C)c1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid?
The InChIKey is ZAYGNMKIVVTYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FO3/c1-12(2)15-9-17(13(3)4)20(19(11-23)21(24)25)18(10-15)14-5-7-16(22)8-6-14/h5-10,12-13,19,23H,11H2,1-4H3,(H,24,25).
What are the key properties of 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid?
2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid has a molecular weight of 344.43 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]-3-hydroxypropanoic acid is sourced from PubChem (CID 67483329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).