3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

C12H14O3 — CID 82368619

IUPAC3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1cccc(O)c1
InChIInChI=1S/C12H14O3/c1-12(2)9(10(12)11(14)15)7-4-3-5-8(13)6-7/h3-6,9-10,13H,1-2H3,(H,14,15)
InChIKeyUCVRQNACSJTYSP-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.22
Rot. Bonds2

About 3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid

3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 82368619) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID82368619
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1c1cccc(O)c1
InChIInChI=1S/C12H14O3/c1-12(2)9(10(12)11(14)15)7-4-3-5-8(13)6-7/h3-6,9-10,13H,1-2H3,(H,14,15)
InChIKeyUCVRQNACSJTYSP-UHFFFAOYSA-N
XLogP2.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid (CID 82368619) is 3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1c1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is UCVRQNACSJTYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-12(2)9(10(12)11(14)15)7-4-3-5-8(13)6-7/h3-6,9-10,13H,1-2H3,(H,14,15).
What are the key properties of 3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid?
3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 82368619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).