2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid

C11H13ClO4 — CID 116769331

IUPAC2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid
SMILESCCOC(C(=O)O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H13ClO4/c1-3-16-10(11(13)14)7-4-5-9(15-2)8(12)6-7/h4-6,10H,3H2,1-2H3,(H,13,14)
InChIKeyDKPHDLNPHHVXIE-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.51
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid

2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid (PubChem CID 116769331) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid
PubChem CID116769331
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid
SMILESCCOC(C(=O)O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C11H13ClO4/c1-3-16-10(11(13)14)7-4-5-9(15-2)8(12)6-7/h4-6,10H,3H2,1-2H3,(H,13,14)
InChIKeyDKPHDLNPHHVXIE-UHFFFAOYSA-N
XLogP2.51
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluorophenyl)-2-ethoxyacetic acid
CID 83224808
3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid
CID 65026320
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
4-amino-3-(3-chloro-4-methoxyphenyl)pentanoic acid
CID 66098134
ethyl 2-[acetyloxy-(3-chloro-4-methoxyphenyl)methyl]prop-2-enoate
CID 131974450
2-ethoxy-2-(4-hydroxyphenyl)acetic acid
CID 70349017
2-(3-chloro-4-methoxyphenyl)-3-(4-chlorophenyl)propanoic acid
CID 82139353
2-(3-chloro-4-methylphenyl)-2-methoxyacetic acid
CID 106819374
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
CID 82296775
3-(3-chloro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953305
(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
2-[(3-chloro-4-methoxyphenyl)methyl]propanedioic acid
CID 82121039

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid (CID 116769331) is 2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid is CCOC(C(=O)O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid?
The InChIKey is DKPHDLNPHHVXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-3-16-10(11(13)14)7-4-5-9(15-2)8(12)6-7/h4-6,10H,3H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid?
2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid has a molecular weight of 244.67 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid is sourced from PubChem (CID 116769331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).