3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid

C11H13ClO4 — CID 65026320

IUPAC3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid
SMILESCOc1ccc(C(O)C(C)C(=O)O)cc1Cl
InChIInChI=1S/C11H13ClO4/c1-6(11(14)15)10(13)7-3-4-9(16-2)8(12)5-7/h3-6,10,13H,1-2H3,(H,14,15)
InChIKeyLNYJHDBETHJGPS-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.10
Rot. Bonds4

About 3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid

3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid (PubChem CID 65026320) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid
PubChem CID65026320
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid
SMILESCOc1ccc(C(O)C(C)C(=O)O)cc1Cl
InChIInChI=1S/C11H13ClO4/c1-6(11(14)15)10(13)7-3-4-9(16-2)8(12)5-7/h3-6,10,13H,1-2H3,(H,14,15)
InChIKeyLNYJHDBETHJGPS-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-1-(3-chloro-4-methoxyphenyl)propane-1,2-diol
CID 10353281
3-(3-chloro-4-methoxyphenyl)-2-methyl-3-(methylamino)propanoic acid
CID 116953305
1-(3-chloro-4-methoxyphenyl)-2-methylpentan-1-ol
CID 61100359
2-(3-chloro-4-methoxyphenyl)-2-ethoxyacetic acid
CID 116769331
3-(3-chloro-4-methoxyanilino)-2-methylbutanoic acid
CID 79391077
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
2-(3-chloro-4-methoxyphenyl)-3-methylbutanal
CID 82081027
methyl 3-(3-chloro-4-methylphenyl)-3-hydroxy-2-methylpropanoate
CID 106818489
methyl 3-(3-chloro-4-hydroxyphenyl)-3-hydroxy-2-methylpropanoate
CID 62394188
methyl (2R)-2-amino-2-(3-chloro-4-methoxyphenyl)acetate
CID 7278759
3-amino-3-(3-chloro-4-methoxyphenyl)propanoic acid
CID 6484258
4-amino-3-(3-chloro-4-methoxyphenyl)pentanoic acid
CID 66098134

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid (CID 65026320) is 3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid is COc1ccc(C(O)C(C)C(=O)O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid?
The InChIKey is LNYJHDBETHJGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-6(11(14)15)10(13)7-3-4-9(16-2)8(12)5-7/h3-6,10,13H,1-2H3,(H,14,15).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid?
3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid has a molecular weight of 244.67 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-3-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 65026320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).