2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid

C16H15FO3 — CID 82023178

IUPAC2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid
SMILESCc1cc(C)cc(OC(C(=O)O)c2ccccc2F)c1
InChIInChI=1S/C16H15FO3/c1-10-7-11(2)9-12(8-10)20-15(16(18)19)13-5-3-4-6-14(13)17/h3-9,15H,1-2H3,(H,18,19)
InChIKeySWKWWDUHBVTCHQ-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.65
Rot. Bonds4

About 2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid

2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid (PubChem CID 82023178) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid
PubChem CID82023178
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid
SMILESCc1cc(C)cc(OC(C(=O)O)c2ccccc2F)c1
InChIInChI=1S/C16H15FO3/c1-10-7-11(2)9-12(8-10)20-15(16(18)19)13-5-3-4-6-14(13)17/h3-9,15H,1-2H3,(H,18,19)
InChIKeySWKWWDUHBVTCHQ-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-5-methylphenoxy)propanoic acid
CID 155818587
2-(3,5-dimethylphenoxy)-2-phenylacetohydrazide
CID 63576169
(3,5-dimethylphenyl) 2-fluorobenzoate
CID 532442
2-(2-fluorophenyl)-3-methylbutanoic acid
CID 62492426
2-(4-acetyl-3-fluorophenoxy)-2-phenylacetic acid
CID 107714446
2-(3,5-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133199746
2-(2-fluorophenyl)-5-(4-methylphenoxy)pentanoic acid
CID 82136618
2-(2-fluorophenyl)-2-[4-[(1R,3S)-3-(1-naphthalen-1-ylethylamino)cyclopentyl]phenoxy]acetic acid;hydrochloride
CID 68760842
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
(2R)-2-(3,5-dimethylphenoxy)butanoic acid
CID 7016341
2-(2-fluorophenyl)-4-methylsulfonylbutanoic acid
CID 79438904
(2R)-2-(3,5-dimethylphenoxy)-N-(2-ethoxyphenyl)propanamide
CID 890147

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid (CID 82023178) is 2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid is Cc1cc(C)cc(OC(C(=O)O)c2ccccc2F)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid?
The InChIKey is SWKWWDUHBVTCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3/c1-10-7-11(2)9-12(8-10)20-15(16(18)19)13-5-3-4-6-14(13)17/h3-9,15H,1-2H3,(H,18,19).
What are the key properties of 2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid?
2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid has a molecular weight of 274.29 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 82023178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).