1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid

C14H17ClO4 — CID 117458252

IUPAC1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1c(C)c(Cl)c(C)c(C2(C(=O)O)CCC2)c1O
InChIInChI=1S/C14H17ClO4/c1-7-9(14(13(17)18)5-4-6-14)11(16)12(19-3)8(2)10(7)15/h16H,4-6H2,1-3H3,(H,17,18)
InChIKeyOYDHWKAPFLHJFB-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.18
Rot. Bonds3

About 1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid

1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid (PubChem CID 117458252) has the molecular formula C14H17ClO4 and a molecular weight of 284.74 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
PubChem CID117458252
Molecular FormulaC14H17ClO4
Molecular Weight284.74 g/mol
Exact Mass284.08
IUPAC Name1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid
SMILESCOc1c(C)c(Cl)c(C)c(C2(C(=O)O)CCC2)c1O
InChIInChI=1S/C14H17ClO4/c1-7-9(14(13(17)18)5-4-6-14)11(16)12(19-3)8(2)10(7)15/h16H,4-6H2,1-3H3,(H,17,18)
InChIKeyOYDHWKAPFLHJFB-UHFFFAOYSA-N
XLogP3.18
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-hydroxy-2,5,6-trimethylphenyl)cyclobutane-1-carboxylic acid
CID 117114289
1-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117429667
1-(4-fluoro-2-hydroxy-3-methoxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117388603
1-(4-chloro-2-hydroxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117394988
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117454530
1-(5-chloro-2,3-dimethoxy-6-methylphenyl)cyclopentane-1-carboxylic acid
CID 117481216
1-(2-chloro-4-hydroxy-3-methoxy-6-methylphenyl)cyclopropane-1-carboxylic acid
CID 117394902
1-(5-bromo-2-hydroxy-3,4,6-trimethylphenyl)cyclobutane-1-carboxylic acid
CID 117114294
1-(2-chloro-3,4-dihydroxy-6-methylphenyl)cyclobutane-1-carboxylic acid
CID 117394982
1-(5-chloro-2,3-dihydroxy-6-methylphenyl)cyclopentane-1-carboxylic acid
CID 117429684
1-(3-chloro-2-methoxy-4,6-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 117389831
1-(2-chloro-3-ethyl-6-hydroxy-5-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117458250

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid (CID 117458252) is 1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid is COc1c(C)c(Cl)c(C)c(C2(C(=O)O)CCC2)c1O.
What is the InChIKey of 1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid?
The InChIKey is OYDHWKAPFLHJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4/c1-7-9(14(13(17)18)5-4-6-14)11(16)12(19-3)8(2)10(7)15/h16H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid?
1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid has a molecular weight of 284.74 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxy-3-methoxy-4,6-dimethylphenyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 117458252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).