methyl 2-(3-chloro-2-cyanophenoxy)propanoate

C11H10ClNO3 — CID 114322384

IUPACmethyl 2-(3-chloro-2-cyanophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1cccc(Cl)c1C#N
InChIInChI=1S/C11H10ClNO3/c1-7(11(14)15-2)16-10-5-3-4-9(12)8(10)6-13/h3-5,7H,1-2H3
InChIKeyDMFOLPMUXRBWKH-UHFFFAOYSA-N
MW239.66 g/mol
LogP2.15
Rot. Bonds3

About methyl 2-(3-chloro-2-cyanophenoxy)propanoate

methyl 2-(3-chloro-2-cyanophenoxy)propanoate (PubChem CID 114322384) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is methyl 2-(3-chloro-2-cyanophenoxy)propanoate.

Molecular Properties

Compound Namemethyl 2-(3-chloro-2-cyanophenoxy)propanoate
PubChem CID114322384
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Namemethyl 2-(3-chloro-2-cyanophenoxy)propanoate
SMILESCOC(=O)C(C)Oc1cccc(Cl)c1C#N
InChIInChI=1S/C11H10ClNO3/c1-7(11(14)15-2)16-10-5-3-4-9(12)8(10)6-13/h3-5,7H,1-2H3
InChIKeyDMFOLPMUXRBWKH-UHFFFAOYSA-N
XLogP2.15
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-2-cyanophenoxy)-N-propan-2-ylpropanamide
CID 113277246
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
methyl 2-(3-chloro-2-cyanophenoxy)-2-cyclopropylacetate
CID 114322408
2-(3-chloro-2-cyanophenoxy)-N-(2-methylbutan-2-yl)propanamide
CID 114322624
methyl 2-(2-cyanophenoxy)propanoate
CID 21465360
2-(3-chloro-2-cyanophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 114322470
ethyl 2-(3-chloro-2-cyanophenoxy)pentanoate
CID 83037631
2-(3-chloro-2-cyanophenoxy)-2-fluoroacetic acid
CID 114322405
methyl (2S)-2-(2-chloro-3-methylphenoxy)propanoate
CID 71075712
2-chloro-6-pentan-3-yloxybenzonitrile
CID 114322513
methyl 2-[2-[(tert-butylamino)methyl]-3-chlorophenoxy]propanoate
CID 114319806
methyl 3-chloro-2-cyanobenzoate
CID 55264601

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-chloro-2-cyanophenoxy)propanoate?
The IUPAC name of methyl 2-(3-chloro-2-cyanophenoxy)propanoate (CID 114322384) is methyl 2-(3-chloro-2-cyanophenoxy)propanoate.
What is the SMILES notation for methyl 2-(3-chloro-2-cyanophenoxy)propanoate?
The canonical SMILES for methyl 2-(3-chloro-2-cyanophenoxy)propanoate is COC(=O)C(C)Oc1cccc(Cl)c1C#N.
What is the InChIKey of methyl 2-(3-chloro-2-cyanophenoxy)propanoate?
The InChIKey is DMFOLPMUXRBWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-7(11(14)15-2)16-10-5-3-4-9(12)8(10)6-13/h3-5,7H,1-2H3.
What are the key properties of methyl 2-(3-chloro-2-cyanophenoxy)propanoate?
methyl 2-(3-chloro-2-cyanophenoxy)propanoate has a molecular weight of 239.66 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-chloro-2-cyanophenoxy)propanoate is sourced from PubChem (CID 114322384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).