(4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate

C15H12ClFO3 — CID 887463

IUPAC(4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate
SMILESC[C@@H](Oc1ccccc1F)C(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFO3/c1-10(19-14-5-3-2-4-13(14)17)15(18)20-12-8-6-11(16)7-9-12/h2-10H,1H3/t10-/m1/s1
InChIKeyBNDDVIJTQSVCHZ-SNVBAGLBSA-N
MW294.71 g/mol
LogP3.85
Rot. Bonds4

About (4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate

(4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate (PubChem CID 887463) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is (4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate.

Molecular Properties

Compound Name(4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate
PubChem CID887463
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name(4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate
SMILESC[C@@H](Oc1ccccc1F)C(=O)Oc1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFO3/c1-10(19-14-5-3-2-4-13(14)17)15(18)20-12-8-6-11(16)7-9-12/h2-10H,1H3/t10-/m1/s1
InChIKeyBNDDVIJTQSVCHZ-SNVBAGLBSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenyl) 2-(2-fluorophenoxy)propanoate
CID 3324699
(2S)-N'-[2-(4-chlorophenoxy)acetyl]-2-(2-fluorophenoxy)propanehydrazide
CID 7927413
(4-chlorophenyl) 2-(3-aminophenoxy)propanoate
CID 133164899
1-(3-chlorophenyl)-2-(2-fluorophenoxy)propan-1-one
CID 43412974
phenyl (2R)-2-(2-methoxyphenoxy)propanoate
CID 134965556
(2R)-N-(2,4-dichlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 7815023
(4-cyanophenyl) (2R)-2-(4-chlorophenoxy)propanoate
CID 7913075
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,3-dimethylphenoxy)propanoate
CID 53266780
(2S)-N-carbamoyl-2-(2-fluorophenoxy)propanamide
CID 7815239
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555
(2S)-N-(3-chlorophenyl)-2-(2-fluorophenoxy)propanamide
CID 887599
N-(2,5-difluorophenyl)-2-(2-fluorophenoxy)propanamide
CID 86909512

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate?
The IUPAC name of (4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate (CID 887463) is (4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate.
What is the SMILES notation for (4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate?
The canonical SMILES for (4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate is C[C@@H](Oc1ccccc1F)C(=O)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate?
The InChIKey is BNDDVIJTQSVCHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-10(19-14-5-3-2-4-13(14)17)15(18)20-12-8-6-11(16)7-9-12/h2-10H,1H3/t10-/m1/s1.
What are the key properties of (4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate?
(4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate has a molecular weight of 294.71 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl) (2R)-2-(2-fluorophenoxy)propanoate is sourced from PubChem (CID 887463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).