1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid

C13H16O4 — CID 117344803

IUPAC1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2)c(O)c(C)c1C
InChIInChI=1S/C13H16O4/c1-7-8(2)11(14)9(6-10(7)17-3)13(4-5-13)12(15)16/h6,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyNBGLWFSASUBUIY-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.13
Rot. Bonds3

About 1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid

1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 117344803) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
PubChem CID117344803
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Name1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1cc(C2(C(=O)O)CC2)c(O)c(C)c1C
InChIInChI=1S/C13H16O4/c1-7-8(2)11(14)9(6-10(7)17-3)13(4-5-13)12(15)16/h6,14H,4-5H2,1-3H3,(H,15,16)
InChIKeyNBGLWFSASUBUIY-UHFFFAOYSA-N
XLogP2.13
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 82496751
1-(3-fluoro-2-hydroxy-4,5-dimethoxyphenyl)cyclohexane-1-carboxylic acid
CID 117480789
6-(1-aminocyclopropyl)-4-methoxy-2,3-dimethylphenol
CID 117296164
methyl 1-(2,5-dimethoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylate
CID 116964044
1-(2-chloro-4,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 105424298
1-(5-hydroxy-2,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117348579
1-(4-fluoro-3-methoxy-2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 84799155
1-(2-fluoro-4-hydroxy-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117324881
1-(4,5-dimethoxy-2-methylsulfonylphenyl)cyclopropane-1-carboxylic acid
CID 117484073
1-(4-hydroxy-2,5-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383425
1-(2-hydroxy-3,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117383426
1-(5-fluoro-2,3-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117352658

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid (CID 117344803) is 1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid is COc1cc(C2(C(=O)O)CC2)c(O)c(C)c1C.
What is the InChIKey of 1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is NBGLWFSASUBUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O4/c1-7-8(2)11(14)9(6-10(7)17-3)13(4-5-13)12(15)16/h6,14H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methoxy-3,4-dimethylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117344803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).