4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid

C19H19FO4 — CID 70500964

IUPAC4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid
SMILESCC(=O)OCCC(C)(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C19H19FO4/c1-13(21)24-11-10-19(2,18(22)23)15-8-9-16(17(20)12-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyCNPSBYSWDVBJDX-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.79
Rot. Bonds6

About 4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid

4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid (PubChem CID 70500964) has the molecular formula C19H19FO4 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid
PubChem CID70500964
Molecular FormulaC19H19FO4
Molecular Weight330.36 g/mol
Exact Mass330.13
IUPAC Name4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid
SMILESCC(=O)OCCC(C)(C(=O)O)c1ccc(-c2ccccc2)c(F)c1
InChIInChI=1S/C19H19FO4/c1-13(21)24-11-10-19(2,18(22)23)15-8-9-16(17(20)12-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,23)
InChIKeyCNPSBYSWDVBJDX-UHFFFAOYSA-N
XLogP3.79
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate
CID 13423264
2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid
CID 101345988
2-(3-fluoro-4-phenylphenyl)-2-methylpropanedinitrile
CID 175411636
3-[3-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]phenoxy]propanoic acid
CID 166242302
(3-ethyl-3-phenylpentyl) acetate
CID 142276896
2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate
CID 135384943
3-aminopropyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 139513351
ethyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
CID 95242614
4-hydroxybutyl 3-fluoro-4-phenylbenzoate
CID 91376358
4-tert-butyl-1-(3-tert-butylphenyl)-2-fluorobenzene
CID 168798404
2-[4-(3-fluoro-4-phenylphenyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 67641327
2-phenylethyl 2-(3-fluoro-4-phenylphenyl)propanoate
CID 69403845

Frequently Asked Questions

What is the IUPAC name of 4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid?
The IUPAC name of 4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid (CID 70500964) is 4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid.
What is the SMILES notation for 4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid?
The canonical SMILES for 4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid is CC(=O)OCCC(C)(C(=O)O)c1ccc(-c2ccccc2)c(F)c1.
What is the InChIKey of 4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid?
The InChIKey is CNPSBYSWDVBJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO4/c1-13(21)24-11-10-19(2,18(22)23)15-8-9-16(17(20)12-15)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,22,23).
What are the key properties of 4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid?
4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid has a molecular weight of 330.36 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid is sourced from PubChem (CID 70500964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).