deuterio 2-(4-chloro-2-methylphenoxy)propanoate

C10H11ClO3 — CID 138402743

IUPACdeuterio 2-(4-chloro-2-methylphenoxy)propanoate
SMILES[2H]OC(=O)C(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/i/hD
InChIKeyWNTGYJSOUMFZEP-DYCDLGHISA-N
MW215.65 g/mol
LogP2.50
Rot. Bonds3

About deuterio 2-(4-chloro-2-methylphenoxy)propanoate

deuterio 2-(4-chloro-2-methylphenoxy)propanoate (PubChem CID 138402743) has the molecular formula C10H11ClO3 and a molecular weight of 215.65 g/mol. Its IUPAC name is deuterio 2-(4-chloro-2-methylphenoxy)propanoate.

Molecular Properties

Compound Namedeuterio 2-(4-chloro-2-methylphenoxy)propanoate
PubChem CID138402743
Molecular FormulaC10H11ClO3
Molecular Weight215.65 g/mol
Exact Mass215.05
IUPAC Namedeuterio 2-(4-chloro-2-methylphenoxy)propanoate
SMILES[2H]OC(=O)C(C)Oc1ccc(Cl)cc1C
InChIInChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/i/hD
InChIKeyWNTGYJSOUMFZEP-DYCDLGHISA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.65
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
magnesium 2-(4-chloro-2-methylphenoxy)propanoate
CID 3015469
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
(2R)-N-carbamoyl-2-(4-chloro-2-methylphenoxy)propanamide
CID 8709006
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
2-(4-chloro-2-methylphenoxy)-N-(3-methylbutan-2-ylideneamino)propanamide
CID 4165286
2-(4-chloro-2-methylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 81047647
(2R)-2-(4-chloro-2-methylphenoxy)-N-(methylcarbamoyl)propanamide
CID 8709004
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976

Frequently Asked Questions

What is the IUPAC name of deuterio 2-(4-chloro-2-methylphenoxy)propanoate?
The IUPAC name of deuterio 2-(4-chloro-2-methylphenoxy)propanoate (CID 138402743) is deuterio 2-(4-chloro-2-methylphenoxy)propanoate.
What is the SMILES notation for deuterio 2-(4-chloro-2-methylphenoxy)propanoate?
The canonical SMILES for deuterio 2-(4-chloro-2-methylphenoxy)propanoate is [2H]OC(=O)C(C)Oc1ccc(Cl)cc1C.
What is the InChIKey of deuterio 2-(4-chloro-2-methylphenoxy)propanoate?
The InChIKey is WNTGYJSOUMFZEP-DYCDLGHISA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13/h3-5,7H,1-2H3,(H,12,13)/i/hD.
What are the key properties of deuterio 2-(4-chloro-2-methylphenoxy)propanoate?
deuterio 2-(4-chloro-2-methylphenoxy)propanoate has a molecular weight of 215.65 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio 2-(4-chloro-2-methylphenoxy)propanoate is sourced from PubChem (CID 138402743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).