2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid

C23H18F2O3 — CID 10177794

IUPAC2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCC=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F2O3/c24-19-7-3-17(4-8-19)22(18-5-9-20(25)10-6-18)13-14-28-21-11-1-16(2-12-21)15-23(26)27/h1-13H,14-15H2,(H,26,27)
InChIKeyGWLVAXGWZALPDS-UHFFFAOYSA-N
MW380.39 g/mol
LogP5.10
Rot. Bonds7

About 2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid

2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid (PubChem CID 10177794) has the molecular formula C23H18F2O3 and a molecular weight of 380.39 g/mol. Its IUPAC name is 2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid
PubChem CID10177794
Molecular FormulaC23H18F2O3
Molecular Weight380.39 g/mol
Exact Mass380.12
IUPAC Name2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCC=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C23H18F2O3/c24-19-7-3-17(4-8-19)22(18-5-9-20(25)10-6-18)13-14-28-21-11-1-16(2-12-21)15-23(26)27/h1-13H,14-15H2,(H,26,27)
InChIKeyGWLVAXGWZALPDS-UHFFFAOYSA-N
XLogP5.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-4-[4-(carboxymethyl)phenoxy]-2-methylbut-2-enoic acid
CID 164614265
2-[4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]acetic acid
CID 170988374
methyl 2-[4-[(E)-3-(4-bromophenyl)-3-phenylprop-2-enoxy]phenyl]acetate
CID 10181534
2-[4-[(E)-3-(4-fluorophenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]prop-2-enoxy]-2-methylphenoxy]acetic acid
CID 67965806
3-[4-[3,3-bis(4-thiophen-2-ylphenyl)prop-2-enoxy]phenyl]propanoic acid
CID 10301725
2-[4-[(Z)-3-[4-[3-(dipropylamino)prop-1-ynyl]phenyl]-3-(4-fluorophenyl)prop-2-enoxy]-2-methylphenoxy]acetic acid
CID 129167647
2-[4-(5-fluoropyrimidin-2-yl)oxyphenyl]acetic acid
CID 113432159
2-[4-[(4-fluorophenyl)methoxy]phenyl]-2-oxoacetaldehyde
CID 13340101
2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693365
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid (CID 10177794) is 2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid is O=C(O)Cc1ccc(OCC=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid?
The InChIKey is GWLVAXGWZALPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2O3/c24-19-7-3-17(4-8-19)22(18-5-9-20(25)10-6-18)13-14-28-21-11-1-16(2-12-21)15-23(26)27/h1-13H,14-15H2,(H,26,27).
What are the key properties of 2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid?
2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid has a molecular weight of 380.39 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,3-bis(4-fluorophenyl)prop-2-enoxy]phenyl]acetic acid is sourced from PubChem (CID 10177794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).