(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid

C16H15FO3 — CID 100531990

IUPAC(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1O[C@H](Cc1ccccc1F)C(=O)O
InChIInChI=1S/C16H15FO3/c1-11-6-2-5-9-14(11)20-15(16(18)19)10-12-7-3-4-8-13(12)17/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeySZHVRCJRAIIDQO-OAHLLOKOSA-N
MW274.29 g/mol
LogP3.21
Rot. Bonds5

About (2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid

(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid (PubChem CID 100531990) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is (2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
PubChem CID100531990
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid
SMILESCc1ccccc1O[C@H](Cc1ccccc1F)C(=O)O
InChIInChI=1S/C16H15FO3/c1-11-6-2-5-9-14(11)20-15(16(18)19)10-12-7-3-4-8-13(12)17/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeySZHVRCJRAIIDQO-OAHLLOKOSA-N
XLogP3.21
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624
3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245331
(2S)-3-(2-chlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 100533098
3-(2,3-dichlorophenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245576
(2R)-3-(2,4-dimethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100526538
3-(2-fluorophenyl)-2-propoxypropanoic acid
CID 133245291
(2R)-2-(2-methylphenoxy)-3-(4-methylphenyl)propanoic acid
CID 100525412
3-(2,4-dimethoxyphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133241119
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
2-(4-chlorophenoxy)-3-(2-fluorophenyl)propanoic acid
CID 57395675
2-(2-methoxyphenoxy)-3-(2-methoxyphenyl)propanoic acid
CID 133240977
3-(3-chloro-4-methylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 133245535

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid?
The IUPAC name of (2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid (CID 100531990) is (2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid.
What is the SMILES notation for (2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid?
The canonical SMILES for (2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid is Cc1ccccc1O[C@H](Cc1ccccc1F)C(=O)O.
What is the InChIKey of (2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid?
The InChIKey is SZHVRCJRAIIDQO-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15FO3/c1-11-6-2-5-9-14(11)20-15(16(18)19)10-12-7-3-4-8-13(12)17/h2-9,15H,10H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid?
(2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid has a molecular weight of 274.29 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2-fluorophenyl)-2-(2-methylphenoxy)propanoic acid is sourced from PubChem (CID 100531990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).