2-[2,6-bis(chloromethyl)phenoxy]acetic acid

C10H10Cl2O3 — CID 67248346

IUPAC2-[2,6-bis(chloromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1c(CCl)cccc1CCl
InChIInChI=1S/C10H10Cl2O3/c11-4-7-2-1-3-8(5-12)10(7)15-6-9(13)14/h1-3H,4-6H2,(H,13,14)
InChIKeyALCXKUFZIRKJPR-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.63
Rot. Bonds5

About 2-[2,6-bis(chloromethyl)phenoxy]acetic acid

2-[2,6-bis(chloromethyl)phenoxy]acetic acid (PubChem CID 67248346) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is 2-[2,6-bis(chloromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2,6-bis(chloromethyl)phenoxy]acetic acid
PubChem CID67248346
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name2-[2,6-bis(chloromethyl)phenoxy]acetic acid
SMILESO=C(O)COc1c(CCl)cccc1CCl
InChIInChI=1S/C10H10Cl2O3/c11-4-7-2-1-3-8(5-12)10(7)15-6-9(13)14/h1-3H,4-6H2,(H,13,14)
InChIKeyALCXKUFZIRKJPR-UHFFFAOYSA-N
XLogP2.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[38,39,40,41,42-pentakis(carboxymethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaenyl]oxy]acetic acid
CID 100979111
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731
1-[3-(chloromethyl)-2-methoxyphenyl]propan-2-one
CID 118843525
propan-2-one;2-[[26,27,28-tris(carboxymethoxy)-2,8,14,20-tetrathiapentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaen-25-yl]oxy]acetic acid;hydrate
CID 139196151
2-[2-methoxy-6-(nitrosomethyl)phenoxy]acetic acid
CID 54487376
2-(3-ethyl-2-methylphenoxy)acetic acid
CID 165357581
chloromethane;2-phenoxyacetic acid
CID 157255542
2-[2-ethoxy-6-(ethylaminomethyl)phenoxy]acetic acid
CID 102535781
methyl 3-(chloromethyl)-2-methoxybenzoate
CID 22615935
2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
2-phenoxyacetic acid;titanium
CID 174896747

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-bis(chloromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2,6-bis(chloromethyl)phenoxy]acetic acid (CID 67248346) is 2-[2,6-bis(chloromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2,6-bis(chloromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2,6-bis(chloromethyl)phenoxy]acetic acid is O=C(O)COc1c(CCl)cccc1CCl.
What is the InChIKey of 2-[2,6-bis(chloromethyl)phenoxy]acetic acid?
The InChIKey is ALCXKUFZIRKJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c11-4-7-2-1-3-8(5-12)10(7)15-6-9(13)14/h1-3H,4-6H2,(H,13,14).
What are the key properties of 2-[2,6-bis(chloromethyl)phenoxy]acetic acid?
2-[2,6-bis(chloromethyl)phenoxy]acetic acid has a molecular weight of 249.09 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-bis(chloromethyl)phenoxy]acetic acid is sourced from PubChem (CID 67248346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).