3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid

C11H13ClO3 — CID 82618683

IUPAC3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1c(Cl)cccc1CC(C)C(=O)O
InChIInChI=1S/C11H13ClO3/c1-7(11(13)14)6-8-4-3-5-9(12)10(8)15-2/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyXZWZQNSMLNNFDQ-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.61
Rot. Bonds4

About 3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid

3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 82618683) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid
PubChem CID82618683
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1c(Cl)cccc1CC(C)C(=O)O
InChIInChI=1S/C11H13ClO3/c1-7(11(13)14)6-8-4-3-5-9(12)10(8)15-2/h3-5,7H,6H2,1-2H3,(H,13,14)
InChIKeyXZWZQNSMLNNFDQ-UHFFFAOYSA-N
XLogP2.61
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-(2,3-dimethoxyphenyl)-2-methylpropanoic acid
CID 95001496
(2R)-3-(2-chlorophenyl)-2-methylpropanoic acid
CID 40999440
3-[3-(difluoromethyl)-2-methoxyphenyl]-2-methylpropanoic acid
CID 84704408
(3-chloro-2-methoxyphenyl)methanol
CID 54184130
3-(4-bromo-3-fluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117470123
3-(3-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 103524126
3-(2-ethyl-3-methoxyphenyl)-2-methylpropanoic acid
CID 117318250
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
3-(2-hydroxy-3-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 84689070
3-(4-chloro-3,5-difluoro-2-methoxyphenyl)-2-methylpropanoic acid
CID 117416062
3-(4-chloro-1-benzofuran-2-yl)-2-methylpropanoic acid
CID 117119938
3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 139894647

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid (CID 82618683) is 3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid is COc1c(Cl)cccc1CC(C)C(=O)O.
What is the InChIKey of 3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is XZWZQNSMLNNFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-7(11(13)14)6-8-4-3-5-9(12)10(8)15-2/h3-5,7H,6H2,1-2H3,(H,13,14).
What are the key properties of 3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid?
3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 228.67 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 82618683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).