2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid

C12H15ClO3 — CID 82293509

IUPAC2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid
SMILESCOc1c(C)cc(Cl)cc1C(C)(C)C(=O)O
InChIInChI=1S/C12H15ClO3/c1-7-5-8(13)6-9(10(7)16-4)12(2,3)11(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyNFKMLJSRLHGQGX-UHFFFAOYSA-N
MW242.70 g/mol
LogP3.02
Rot. Bonds3

About 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid

2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid (PubChem CID 82293509) has the molecular formula C12H15ClO3 and a molecular weight of 242.70 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid
PubChem CID82293509
Molecular FormulaC12H15ClO3
Molecular Weight242.70 g/mol
Exact Mass242.07
IUPAC Name2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid
SMILESCOc1c(C)cc(Cl)cc1C(C)(C)C(=O)O
InChIInChI=1S/C12H15ClO3/c1-7-5-8(13)6-9(10(7)16-4)12(2,3)11(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyNFKMLJSRLHGQGX-UHFFFAOYSA-N
XLogP3.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.70
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
2-(5-chloro-2-methoxy-3-methylphenyl)propane-2-thiol
CID 116866596
2-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropanoic acid
CID 82291650
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82288338
2-(5-hydroxy-4-methoxy-2-methylphenyl)-2-methylpropanoic acid
CID 105423410
5-chloro-1-[cyclopropyl(difluoro)methyl]-2-methoxy-3-methylbenzene
CID 116841694
2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 82232441
1-(3-tert-butyl-5-chloro-2-methoxyphenyl)ethanone
CID 117354240
3-(5-chloro-2-methoxy-3-methylphenyl)butanoic acid
CID 82293511
(E)-4-(5-chloro-2-methoxy-3-methylphenyl)but-2-enoic acid
CID 116866029
(5-chloro-2-methoxy-3-methylphenyl)-methylcarbamothioic S-acid
CID 115169836
5-chloro-2-methoxy-3-methyl-N-propan-2-ylbenzamide
CID 110762952

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid?
The IUPAC name of 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid (CID 82293509) is 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid is COc1c(C)cc(Cl)cc1C(C)(C)C(=O)O.
What is the InChIKey of 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid?
The InChIKey is NFKMLJSRLHGQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3/c1-7-5-8(13)6-9(10(7)16-4)12(2,3)11(14)15/h5-6H,1-4H3,(H,14,15).
What are the key properties of 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid?
2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid has a molecular weight of 242.70 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-3-methylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 82293509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).