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

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CID 127
(2-Hydroxyphenyl)acetic acid
CID 11970
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CID 780
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CID 637540
3'-Hydroxyphenylacetic acid
CID 12122
4-(4'-Hydroxyphenyl)-2-butanone
CID 21648
3-(4-Hydroxyphenyl)propionic acid
CID 10394
4-Hydroxyphenylpyruvic Acid
CID 979
3-(3'-Hydroxyphenyl)propionic acid
CID 91
Melilotic acid
CID 873
Benzenepropanoic acid, 4-hydroxy-, methyl ester
CID 79706
3-(3',5'-Di-tert-butyl-4'-hydroxyphenyl)propionic acid
CID 88389

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).