2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid

C12H14O3 — CID 83930573

IUPAC2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CCc1ccccc1O
InChIInChI=1S/C12H14O3/c13-11-4-2-1-3-8(11)5-6-9-7-10(9)12(14)15/h1-4,9-10,13H,5-7H2,(H,14,15)
InChIKeySDCXKVJBPMIYAQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.05
Rot. Bonds4

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

2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 83930573) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid
PubChem CID83930573
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CCc1ccccc1O
InChIInChI=1S/C12H14O3/c13-11-4-2-1-3-8(11)5-6-9-7-10(9)12(14)15/h1-4,9-10,13H,5-7H2,(H,14,15)
InChIKeySDCXKVJBPMIYAQ-UHFFFAOYSA-N
XLogP2.05
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
2-[2-(2,5-dimethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928194
2-[2-(2,4-dichlorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83928405
2-[2-(4-aminophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112718089
trans-(1R,2S)-2-[2-(4-iodophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 130404266
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
2-[2-(4-ethoxy-2-ethylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83941765
3-[(2-hydroxyphenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103551256
2-[2-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83936253
cis-(1S,2R)-2-[(2-hydroxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93379347
2-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 112717887
2-(2-cyclopentylethyl)phenol
CID 57085599

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid (CID 83930573) is 2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1CCc1ccccc1O.
What is the InChIKey of 2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is SDCXKVJBPMIYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c13-11-4-2-1-3-8(11)5-6-9-7-10(9)12(14)15/h1-4,9-10,13H,5-7H2,(H,14,15).
What are the key properties of 2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid?
2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyphenyl)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83930573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).