3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid

C14H19ClO3 — CID 115112862

IUPAC3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid
SMILESCOc1c(C)c(C)c(Cl)c(C)c1CC(C)C(=O)O
InChIInChI=1S/C14H19ClO3/c1-7(14(16)17)6-11-10(4)12(15)8(2)9(3)13(11)18-5/h7H,6H2,1-5H3,(H,16,17)
InChIKeyVSLIGHFOBUYLIS-UHFFFAOYSA-N
MW270.76 g/mol
LogP3.54
Rot. Bonds4

About 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid

3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid (PubChem CID 115112862) has the molecular formula C14H19ClO3 and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid
PubChem CID115112862
Molecular FormulaC14H19ClO3
Molecular Weight270.76 g/mol
Exact Mass270.10
IUPAC Name3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid
SMILESCOc1c(C)c(C)c(Cl)c(C)c1CC(C)C(=O)O
InChIInChI=1S/C14H19ClO3/c1-7(14(16)17)6-11-10(4)12(15)8(2)9(3)13(11)18-5/h7H,6H2,1-5H3,(H,16,17)
InChIKeyVSLIGHFOBUYLIS-UHFFFAOYSA-N
XLogP3.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chloro-6-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 117395369
3-(3-chloro-4-hydroxy-2,5,6-trimethylphenyl)-2-methylpropanoic acid
CID 115112855
3-(4-chloro-2-hydroxy-3-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117400516
3-(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)-2-methylpropanoic acid
CID 117490391
1-chloro-4-methoxy-3-(methoxymethyl)-2,5,6-trimethylbenzene
CID 116932279
N-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methyl]ethanamine
CID 115259388
1-[(5-chloro-2-methoxy-3,4,6-trimethylphenyl)methylamino]propan-2-one
CID 115234808
(E)-6-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-4-methylhex-4-enoic acid
CID 10566972
N-[2-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)ethyl]propan-2-amine
CID 116925315
1-chloro-3-(isocyanatomethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 117114761
2-amino-3-(5-bromo-2-methoxy-3,4,6-trimethylphenyl)propanoic acid
CID 116928722
3-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117416062

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid (CID 115112862) is 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid is COc1c(C)c(C)c(Cl)c(C)c1CC(C)C(=O)O.
What is the InChIKey of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid?
The InChIKey is VSLIGHFOBUYLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO3/c1-7(14(16)17)6-11-10(4)12(15)8(2)9(3)13(11)18-5/h7H,6H2,1-5H3,(H,16,17).
What are the key properties of 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid?
3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid has a molecular weight of 270.76 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 115112862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).