3-(2,5-dichloro-4-methoxyphenyl)butanoic acid

C11H12Cl2O3 — CID 82303091

IUPAC3-(2,5-dichloro-4-methoxyphenyl)butanoic acid
SMILESCOc1cc(Cl)c(C(C)CC(=O)O)cc1Cl
InChIInChI=1S/C11H12Cl2O3/c1-6(3-11(14)15)7-4-9(13)10(16-2)5-8(7)12/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyAVADETKXLWFNHW-UHFFFAOYSA-N
MW263.12 g/mol
LogP3.58
Rot. Bonds4

About 3-(2,5-dichloro-4-methoxyphenyl)butanoic acid

3-(2,5-dichloro-4-methoxyphenyl)butanoic acid (PubChem CID 82303091) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is 3-(2,5-dichloro-4-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-(2,5-dichloro-4-methoxyphenyl)butanoic acid
PubChem CID82303091
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name3-(2,5-dichloro-4-methoxyphenyl)butanoic acid
SMILESCOc1cc(Cl)c(C(C)CC(=O)O)cc1Cl
InChIInChI=1S/C11H12Cl2O3/c1-6(3-11(14)15)7-4-9(13)10(16-2)5-8(7)12/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyAVADETKXLWFNHW-UHFFFAOYSA-N
XLogP3.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-4,5-dimethoxyphenyl)butanoic acid
CID 83959363
3-(2-chloro-4,5-diethoxyphenyl)butanoic acid
CID 83959381
2-(2,5-dichloro-4-methoxyphenyl)acetic acid
CID 5202225
3-amino-3-(4-chloro-5-methoxy-2-methylphenyl)propanoic acid
CID 84802119
3-(5-chloro-4-methoxy-2-propan-2-ylphenyl)-3-cyclopropylpropanoic acid
CID 117478149
3-(3-chloro-5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
CID 83957920
1-(2,5-dichloro-4-methoxyphenyl)-N,N-dimethylethanamine
CID 116914633
3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid
CID 110447484
3-(5-amino-2-methoxyphenyl)butanoic acid
CID 84676824
3-(5-chloro-2-methoxy-4-methylphenyl)-4-methylpentanoic acid
CID 82306007
2-(2,4-dichloro-5-methoxyphenyl)propan-1-amine
CID 83895896
2-amino-1-(2,5-dichloro-4-methoxyphenyl)ethanol
CID 82291508

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichloro-4-methoxyphenyl)butanoic acid?
The IUPAC name of 3-(2,5-dichloro-4-methoxyphenyl)butanoic acid (CID 82303091) is 3-(2,5-dichloro-4-methoxyphenyl)butanoic acid.
What is the SMILES notation for 3-(2,5-dichloro-4-methoxyphenyl)butanoic acid?
The canonical SMILES for 3-(2,5-dichloro-4-methoxyphenyl)butanoic acid is COc1cc(Cl)c(C(C)CC(=O)O)cc1Cl.
What is the InChIKey of 3-(2,5-dichloro-4-methoxyphenyl)butanoic acid?
The InChIKey is AVADETKXLWFNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c1-6(3-11(14)15)7-4-9(13)10(16-2)5-8(7)12/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-(2,5-dichloro-4-methoxyphenyl)butanoic acid?
3-(2,5-dichloro-4-methoxyphenyl)butanoic acid has a molecular weight of 263.12 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichloro-4-methoxyphenyl)butanoic acid is sourced from PubChem (CID 82303091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).