3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid

C11H13ClO4 — CID 83899880

IUPAC3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid
SMILESCOc1c(Cl)ccc(O)c1C(C)CC(=O)O
InChIInChI=1S/C11H13ClO4/c1-6(5-9(14)15)10-8(13)4-3-7(12)11(10)16-2/h3-4,6,13H,5H2,1-2H3,(H,14,15)
InChIKeyLFPCMFNVOOYBNP-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.63
Rot. Bonds4

About 3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid

3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid (PubChem CID 83899880) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid.

Molecular Properties

Compound Name3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid
PubChem CID83899880
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid
SMILESCOc1c(Cl)ccc(O)c1C(C)CC(=O)O
InChIInChI=1S/C11H13ClO4/c1-6(5-9(14)15)10-8(13)4-3-7(12)11(10)16-2/h3-4,6,13H,5H2,1-2H3,(H,14,15)
InChIKeyLFPCMFNVOOYBNP-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-4-hydroxy-2-methoxyphenyl)butanoic acid
CID 84802667
3-amino-3-(3-chloro-6-fluoro-2-methoxyphenyl)propanoic acid
CID 84706227
3-(2,3-difluoro-6-hydroxyphenyl)butanoic acid
CID 83886950
3-(3-chloro-2-methoxy-6-methylphenyl)-3-cyclopropylpropanoic acid
CID 117425303
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337
3-(3-chloro-2,6-difluorophenyl)butanoic acid
CID 84698122
4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
3-(4-chloro-2-hydroxy-3-methoxyphenyl)-3-cyclopropylpropanoic acid
CID 117429783
3-(3-chloro-6-fluoro-2-methylphenyl)butanoic acid
CID 84794038
3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanoic acid
CID 82619390
6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132
3-(5-chloro-2-hydroxyphenyl)butanoic acid
CID 131360559

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid?
The IUPAC name of 3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid (CID 83899880) is 3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid.
What is the SMILES notation for 3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid?
The canonical SMILES for 3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid is COc1c(Cl)ccc(O)c1C(C)CC(=O)O.
What is the InChIKey of 3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid?
The InChIKey is LFPCMFNVOOYBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-6(5-9(14)15)10-8(13)4-3-7(12)11(10)16-2/h3-4,6,13H,5H2,1-2H3,(H,14,15).
What are the key properties of 3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid?
3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid has a molecular weight of 244.67 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-6-hydroxy-2-methoxyphenyl)butanoic acid is sourced from PubChem (CID 83899880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).