3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid

C11H13ClO4 — CID 83899882

IUPAC3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1cc(Cl)cc(CC(C)C(=O)O)c1O
InChIInChI=1S/C11H13ClO4/c1-6(11(14)15)3-7-4-8(12)5-9(16-2)10(7)13/h4-6,13H,3H2,1-2H3,(H,14,15)
InChIKeyCTIDYEKYTSSPSW-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.32
Rot. Bonds4

About 3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid

3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid (PubChem CID 83899882) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
PubChem CID83899882
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
SMILESCOc1cc(Cl)cc(CC(C)C(=O)O)c1O
InChIInChI=1S/C11H13ClO4/c1-6(11(14)15)3-7-4-8(12)5-9(16-2)10(7)13/h4-6,13H,3H2,1-2H3,(H,14,15)
InChIKeyCTIDYEKYTSSPSW-UHFFFAOYSA-N
XLogP2.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-3-methoxy-2-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430045
3-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117384048
4-amino-5-(5-chloro-2-hydroxy-3-methoxyphenyl)pentanoic acid
CID 113438941
3-(2-ethyl-4,5-dimethoxyphenyl)-2-methylpropanoic acid
CID 117384067
ethyl 2-amino-3-(5-chloro-2-hydroxy-3-methoxyphenyl)propanoate
CID 112694609
3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430052
2-[carboxymethyl-[(5-chloro-2-hydroxy-3-methoxyphenyl)methyl]amino]acetic acid
CID 104667211
3-(3-bromo-2-hydroxy-4-methoxyphenyl)-2-methylpropanoic acid
CID 84814594
3-(5-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 117487959
3-(2-chloro-3-methoxy-5-propan-2-ylphenyl)-2-methylpropanoic acid
CID 117430043
3-(3-bromo-2-hydroxy-5-methylphenyl)-2-methylpropanoic acid
CID 83903983
3-(2-hydroxy-5-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 117321917

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid (CID 83899882) is 3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid is COc1cc(Cl)cc(CC(C)C(=O)O)c1O.
What is the InChIKey of 3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid?
The InChIKey is CTIDYEKYTSSPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-6(11(14)15)3-7-4-8(12)5-9(16-2)10(7)13/h4-6,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid?
3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid has a molecular weight of 244.67 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 83899882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).