butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid

C21H24F2O7 — CID 70282538

IUPACbutanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid
SMILESCCCC(=O)O.COc1ccc(CC(=O)O)cc1.O=C(O)Cc1ccc(F)cc1F
InChIInChI=1S/C9H10O3.C8H6F2O2.C4H8O2/c1-12-8-4-2-7(3-5-8)6-9(10)11;9-6-2-1-5(3-8(11)12)7(10)4-6;1-2-3-4(5)6/h2-5H,6H2,1H3,(H,10,11);1-2,4H,3H2,(H,11,12);2-3H2,1H3,(H,5,6)
InChIKeyDFEXIRFXMDHSLA-UHFFFAOYSA-N
MW426.41 g/mol
LogP3.79
Rot. Bonds7

About butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid

butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid (PubChem CID 70282538) has the molecular formula C21H24F2O7 and a molecular weight of 426.41 g/mol. Its IUPAC name is butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid.

Molecular Properties

Compound Namebutanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid
PubChem CID70282538
Molecular FormulaC21H24F2O7
Molecular Weight426.41 g/mol
Exact Mass426.15
IUPAC Namebutanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid
SMILESCCCC(=O)O.COc1ccc(CC(=O)O)cc1.O=C(O)Cc1ccc(F)cc1F
InChIInChI=1S/C9H10O3.C8H6F2O2.C4H8O2/c1-12-8-4-2-7(3-5-8)6-9(10)11;9-6-2-1-5(3-8(11)12)7(10)4-6;1-2-3-4(5)6/h2-5H,6H2,1H3,(H,10,11);1-2,4H,3H2,(H,11,12);2-3H2,1H3,(H,5,6)
InChIKeyDFEXIRFXMDHSLA-UHFFFAOYSA-N
XLogP3.79
TPSA121.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.41
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
3-(2,4-difluorophenyl)propanoic acid;hydrochloride
CID 175907360
2-(4-methoxyphenyl)acetic acid;oxolane
CID 67598100
3-(2-fluoro-5-methoxyphenyl)propanoic acid
CID 83402634
1-(2,4-difluorophenyl)-3-(3-methoxyphenyl)propan-2-one
CID 62196543
N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide
CID 52999173
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
2-[4-fluoro-2-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
CID 155588706
4-[[2-(2-fluoro-4-methoxyphenyl)acetyl]amino]butanoic acid
CID 110834503
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
2-[4-(trideuteriomethoxy)phenyl]acetic acid
CID 177182175
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113079882

Frequently Asked Questions

What is the IUPAC name of butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid?
The IUPAC name of butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid (CID 70282538) is butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid.
What is the SMILES notation for butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid?
The canonical SMILES for butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid is CCCC(=O)O.COc1ccc(CC(=O)O)cc1.O=C(O)Cc1ccc(F)cc1F.
What is the InChIKey of butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid?
The InChIKey is DFEXIRFXMDHSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3.C8H6F2O2.C4H8O2/c1-12-8-4-2-7(3-5-8)6-9(10)11;9-6-2-1-5(3-8(11)12)7(10)4-6;1-2-3-4(5)6/h2-5H,6H2,1H3,(H,10,11);1-2,4H,3H2,(H,11,12);2-3H2,1H3,(H,5,6).
What are the key properties of butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid?
butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid has a molecular weight of 426.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;2-(2,4-difluorophenyl)acetic acid;2-(4-methoxyphenyl)acetic acid is sourced from PubChem (CID 70282538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).