2-(2,3-dichlorophenyl)-2-propoxyacetic acid

C11H12Cl2O3 — CID 83224713

IUPAC2-(2,3-dichlorophenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O3/c1-2-6-16-10(11(14)15)7-4-3-5-8(12)9(7)13/h3-5,10H,2,6H2,1H3,(H,14,15)
InChIKeyRQPVJJKPPDCKNM-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.55
Rot. Bonds5

About 2-(2,3-dichlorophenyl)-2-propoxyacetic acid

2-(2,3-dichlorophenyl)-2-propoxyacetic acid (PubChem CID 83224713) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-2-propoxyacetic acid.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-2-propoxyacetic acid
PubChem CID83224713
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name2-(2,3-dichlorophenyl)-2-propoxyacetic acid
SMILESCCCOC(C(=O)O)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H12Cl2O3/c1-2-6-16-10(11(14)15)7-4-3-5-8(12)9(7)13/h3-5,10H,2,6H2,1H3,(H,14,15)
InChIKeyRQPVJJKPPDCKNM-UHFFFAOYSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorophenyl)-2,2-diethoxyethanol
CID 79495182
2-(3-ethoxyphenyl)-2-propoxyacetic acid
CID 83224813
2-(3-fluorophenyl)-2-propoxyacetic acid
CID 83224812
ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate
CID 19705040
(2R)-2-(2-chlorophenyl)-2-methoxyacetic acid
CID 91331586
2-(2-hydroxyethoxy)-2-(2-methylphenyl)acetic acid
CID 83223513
(2R)-3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 100534108
3-(3-chlorophenyl)-2-propoxypropanoic acid
CID 133240512
2-(2-ethoxyphenyl)-2-(2-hydroxyethoxy)acetic acid
CID 83224823
(1R,2R)-1-(2,3-dichlorophenyl)propane-1,2-diol;(1S,2S)-1-(2,3-dichlorophenyl)propane-1,2-diol;methane
CID 158468254
2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid
CID 103914711
methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770432

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-2-propoxyacetic acid?
The IUPAC name of 2-(2,3-dichlorophenyl)-2-propoxyacetic acid (CID 83224713) is 2-(2,3-dichlorophenyl)-2-propoxyacetic acid.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-2-propoxyacetic acid?
The canonical SMILES for 2-(2,3-dichlorophenyl)-2-propoxyacetic acid is CCCOC(C(=O)O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-2-propoxyacetic acid?
The InChIKey is RQPVJJKPPDCKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c1-2-6-16-10(11(14)15)7-4-3-5-8(12)9(7)13/h3-5,10H,2,6H2,1H3,(H,14,15).
What are the key properties of 2-(2,3-dichlorophenyl)-2-propoxyacetic acid?
2-(2,3-dichlorophenyl)-2-propoxyacetic acid has a molecular weight of 263.12 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-2-propoxyacetic acid is sourced from PubChem (CID 83224713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).