1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid

C11H12O4 — CID 84675891

IUPAC1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(O)c2ccccc2O)CC1
InChIInChI=1S/C11H12O4/c12-8-4-2-1-3-7(8)9(13)11(5-6-11)10(14)15/h1-4,9,12-13H,5-6H2,(H,14,15)
InChIKeyXDWGPHYCNICWKS-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.29
Rot. Bonds3

About 1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid

1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 84675891) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID84675891
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C(O)c2ccccc2O)CC1
InChIInChI=1S/C11H12O4/c12-8-4-2-1-3-7(8)9(13)11(5-6-11)10(14)15/h1-4,9,12-13H,5-6H2,(H,14,15)
InChIKeyXDWGPHYCNICWKS-UHFFFAOYSA-N
XLogP1.29
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid (CID 84675891) is 1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1(C(O)c2ccccc2O)CC1.
What is the InChIKey of 1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is XDWGPHYCNICWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-8-4-2-1-3-7(8)9(13)11(5-6-11)10(14)15/h1-4,9,12-13H,5-6H2,(H,14,15).
What are the key properties of 1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid?
1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy-(2-hydroxyphenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84675891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).