3-(3,5-dichloro-2-propoxyphenyl)propanoic acid

C12H14Cl2O3 — CID 82267091

IUPAC3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
SMILESCCCOc1c(Cl)cc(Cl)cc1CCC(=O)O
InChIInChI=1S/C12H14Cl2O3/c1-2-5-17-12-8(3-4-11(15)16)6-9(13)7-10(12)14/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyZIIJUIYMGGJQKJ-UHFFFAOYSA-N
MW277.15 g/mol
LogP3.80
Rot. Bonds6

About 3-(3,5-dichloro-2-propoxyphenyl)propanoic acid

3-(3,5-dichloro-2-propoxyphenyl)propanoic acid (PubChem CID 82267091) has the molecular formula C12H14Cl2O3 and a molecular weight of 277.15 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
PubChem CID82267091
Molecular FormulaC12H14Cl2O3
Molecular Weight277.15 g/mol
Exact Mass276.03
IUPAC Name3-(3,5-dichloro-2-propoxyphenyl)propanoic acid
SMILESCCCOc1c(Cl)cc(Cl)cc1CCC(=O)O
InChIInChI=1S/C12H14Cl2O3/c1-2-5-17-12-8(3-4-11(15)16)6-9(13)7-10(12)14/h6-7H,2-5H2,1H3,(H,15,16)
InChIKeyZIIJUIYMGGJQKJ-UHFFFAOYSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,5-dichloro-2-propoxyphenyl)butanethioamide
CID 83941328
3-(2-chloro-4,5-dipropoxyphenyl)propanoic acid
CID 82268203
2-[2-(3,5-dichloro-2-propoxyphenyl)ethyl]propane-1,3-diol
CID 83941330
3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid
CID 82053234
4-(3,5-dichloro-2-propoxyphenyl)butane-1,2-diol
CID 83941376
3,5-dichloro-2-propoxyphenol
CID 82267104
4-amino-1-(3,5-dichloro-2-propoxyphenyl)pentan-3-ol
CID 83941378
1-(3,5-dichloro-2-propoxyphenyl)ethanone
CID 82267096
3-(5-chloro-2,3-dimethoxyphenyl)propanoic acid
CID 117363654
3-(3,5-dichloro-2-hydroxyphenyl)propanoic acid
CID 54270247
6-(3,5-dichloro-2-propoxyphenyl)hexan-3-amine
CID 83941333
2-(2,4-dichloro-6-propoxyphenyl)acetic acid
CID 82554118

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-propoxyphenyl)propanoic acid?
The IUPAC name of 3-(3,5-dichloro-2-propoxyphenyl)propanoic acid (CID 82267091) is 3-(3,5-dichloro-2-propoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(3,5-dichloro-2-propoxyphenyl)propanoic acid?
The canonical SMILES for 3-(3,5-dichloro-2-propoxyphenyl)propanoic acid is CCCOc1c(Cl)cc(Cl)cc1CCC(=O)O.
What is the InChIKey of 3-(3,5-dichloro-2-propoxyphenyl)propanoic acid?
The InChIKey is ZIIJUIYMGGJQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2O3/c1-2-5-17-12-8(3-4-11(15)16)6-9(13)7-10(12)14/h6-7H,2-5H2,1H3,(H,15,16).
What are the key properties of 3-(3,5-dichloro-2-propoxyphenyl)propanoic acid?
3-(3,5-dichloro-2-propoxyphenyl)propanoic acid has a molecular weight of 277.15 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-propoxyphenyl)propanoic acid is sourced from PubChem (CID 82267091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).