(2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid

C10H10ClFO3 — CID 104875534

IUPAC(2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid
SMILESC[C@@H](OCc1cccc(F)c1Cl)C(=O)O
InChIInChI=1S/C10H10ClFO3/c1-6(10(13)14)15-5-7-3-2-4-8(12)9(7)11/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyIWLCQUUDQZNORL-ZCFIWIBFSA-N
MW232.64 g/mol
LogP2.47
Rot. Bonds4

About (2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid

(2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid (PubChem CID 104875534) has the molecular formula C10H10ClFO3 and a molecular weight of 232.64 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid
PubChem CID104875534
Molecular FormulaC10H10ClFO3
Molecular Weight232.64 g/mol
Exact Mass232.03
IUPAC Name(2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid
SMILESC[C@@H](OCc1cccc(F)c1Cl)C(=O)O
InChIInChI=1S/C10H10ClFO3/c1-6(10(13)14)15-5-7-3-2-4-8(12)9(7)11/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyIWLCQUUDQZNORL-ZCFIWIBFSA-N
XLogP2.47
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.64
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methoxy]propanoic acid
CID 24699510
1-(2-chloro-3-fluorophenyl)-3,4-dimethylpentan-2-one
CID 115797412
(2S)-2-(naphthalen-1-ylmethoxy)propanoic acid
CID 104876043
2-[(2-chloro-3-fluorophenyl)methoxy]-6-fluorobenzoic acid
CID 104651365
1-(2-chloro-3-fluorophenyl)-4-methylpentan-3-one
CID 112652607
2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 115982957
1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone
CID 112549927
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanone
CID 112653372
1-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446016
1-(2-chloro-3-fluorophenyl)-3-(dimethylamino)propan-2-one
CID 112653367
4-[(2-chloro-3-fluorophenyl)methoxy]phenol
CID 112652557
(2S)-2-[[2-[3-(4-chlorobenzoyl)-2-ethyl-4-fluoro-2,3-dihydroindol-1-yl]phenyl]methoxy]propanoic acid
CID 70861171

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid?
The IUPAC name of (2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid (CID 104875534) is (2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid?
The canonical SMILES for (2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid is C[C@@H](OCc1cccc(F)c1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid?
The InChIKey is IWLCQUUDQZNORL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10ClFO3/c1-6(10(13)14)15-5-7-3-2-4-8(12)9(7)11/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid?
(2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid has a molecular weight of 232.64 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-3-fluorophenyl)methoxy]propanoic acid is sourced from PubChem (CID 104875534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).