azane;2-(4-chloro-2-methylphenoxy)propanoic acid

C10H14ClNO3 — CID 13376687

IUPACazane;2-(4-chloro-2-methylphenoxy)propanoic acid
SMILESCc1cc(Cl)ccc1OC(C)C(=O)O.N
InChIInChI=1S/C10H11ClO3.H3N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);1H3
InChIKeyHBXMFCYHMKBMSB-UHFFFAOYSA-N
MW231.68 g/mol
LogP2.66
Rot. Bonds3

About azane;2-(4-chloro-2-methylphenoxy)propanoic acid

azane;2-(4-chloro-2-methylphenoxy)propanoic acid (PubChem CID 13376687) has the molecular formula C10H14ClNO3 and a molecular weight of 231.68 g/mol. Its IUPAC name is azane;2-(4-chloro-2-methylphenoxy)propanoic acid.

Molecular Properties

Compound Nameazane;2-(4-chloro-2-methylphenoxy)propanoic acid
PubChem CID13376687
Molecular FormulaC10H14ClNO3
Molecular Weight231.68 g/mol
Exact Mass231.07
IUPAC Nameazane;2-(4-chloro-2-methylphenoxy)propanoic acid
SMILESCc1cc(Cl)ccc1OC(C)C(=O)O.N
InChIInChI=1S/C10H11ClO3.H3N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);1H3
InChIKeyHBXMFCYHMKBMSB-UHFFFAOYSA-N
XLogP2.66
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
deuterio 2-(4-chloro-2-methylphenoxy)propanoate
CID 138402743
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
magnesium 2-(4-chloro-2-methylphenoxy)propanoate
CID 3015469
silver 2-(4-chloro-2-methylphenoxy)propanoate
CID 159374352
4-(4-chloro-2-methylphenoxy)butanoic acid;2-(2,4-dichlorophenoxy)propanoic acid
CID 67631738
2-(4-chloro-2-methylphenoxy)propanoic acid;methyl(trioctyl)azanium;chloride
CID 67127245
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
(2S)-2-(4-bromo-2-methylphenoxy)propanoic acid
CID 42316822
2-(4-iodo-2-methylphenoxy)propanoic acid
CID 152974342
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976

Frequently Asked Questions

What is the IUPAC name of azane;2-(4-chloro-2-methylphenoxy)propanoic acid?
The IUPAC name of azane;2-(4-chloro-2-methylphenoxy)propanoic acid (CID 13376687) is azane;2-(4-chloro-2-methylphenoxy)propanoic acid.
What is the SMILES notation for azane;2-(4-chloro-2-methylphenoxy)propanoic acid?
The canonical SMILES for azane;2-(4-chloro-2-methylphenoxy)propanoic acid is Cc1cc(Cl)ccc1OC(C)C(=O)O.N.
What is the InChIKey of azane;2-(4-chloro-2-methylphenoxy)propanoic acid?
The InChIKey is HBXMFCYHMKBMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3.H3N/c1-6-5-8(11)3-4-9(6)14-7(2)10(12)13;/h3-5,7H,1-2H3,(H,12,13);1H3.
What are the key properties of azane;2-(4-chloro-2-methylphenoxy)propanoic acid?
azane;2-(4-chloro-2-methylphenoxy)propanoic acid has a molecular weight of 231.68 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-(4-chloro-2-methylphenoxy)propanoic acid is sourced from PubChem (CID 13376687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).