2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid

C16H14Cl2O3 — CID 82141109

IUPAC2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2O3/c1-21-11-5-2-4-10(8-11)9-12(16(19)20)15-13(17)6-3-7-14(15)18/h2-8,12H,9H2,1H3,(H,19,20)
InChIKeyQDZHTYDSRGAQDJ-UHFFFAOYSA-N
MW325.19 g/mol
LogP4.41
Rot. Bonds5

About 2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid

2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid (PubChem CID 82141109) has the molecular formula C16H14Cl2O3 and a molecular weight of 325.19 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
PubChem CID82141109
Molecular FormulaC16H14Cl2O3
Molecular Weight325.19 g/mol
Exact Mass324.03
IUPAC Name2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid
SMILESCOc1cccc(CC(C(=O)O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2O3/c1-21-11-5-2-4-10(8-11)9-12(16(19)20)15-13(17)6-3-7-14(15)18/h2-8,12H,9H2,1H3,(H,19,20)
InChIKeyQDZHTYDSRGAQDJ-UHFFFAOYSA-N
XLogP4.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(4-chlorophenyl)-3-(3-methoxyphenyl)propanoic acid
CID 42051145
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
2-(3-methoxyphenyl)-3-(3-propan-2-yloxyphenyl)propanoic acid
CID 82095275
3-(3-methoxyphenyl)-2-(5-methylpyridazin-3-yl)propanoic acid
CID 106550843
(2S)-2-(2,3-dimethoxyphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 99907324
3-(3-methoxyphenyl)-2-(6-methylpyridazin-3-yl)propanoic acid
CID 104572407
3-(3-methoxyphenyl)-2-(3-methylpyrazin-2-yl)propanoic acid
CID 104572414
2-chloro-3-(3-methoxyphenyl)-1-phenylpropan-1-one
CID 82185120
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
3-(3-methoxyphenyl)-2-(3-methyl-4-pyridinyl)propanoic acid
CID 104572423

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid?
The IUPAC name of 2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid (CID 82141109) is 2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid is COc1cccc(CC(C(=O)O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid?
The InChIKey is QDZHTYDSRGAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2O3/c1-21-11-5-2-4-10(8-11)9-12(16(19)20)15-13(17)6-3-7-14(15)18/h2-8,12H,9H2,1H3,(H,19,20).
What are the key properties of 2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid?
2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid has a molecular weight of 325.19 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-3-(3-methoxyphenyl)propanoic acid is sourced from PubChem (CID 82141109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).