2-(3-hydroxyphenyl)oxetane-2-carboxylic acid

C10H10O4 — CID 117258805

IUPAC2-(3-hydroxyphenyl)oxetane-2-carboxylic acid
SMILESO=C(O)C1(c2cccc(O)c2)CCO1
InChIInChI=1S/C10H10O4/c11-8-3-1-2-7(6-8)10(9(12)13)4-5-14-10/h1-3,6,11H,4-5H2,(H,12,13)
InChIKeyCWAQGGPVOBLKDP-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.09
Rot. Bonds2

About 2-(3-hydroxyphenyl)oxetane-2-carboxylic acid

2-(3-hydroxyphenyl)oxetane-2-carboxylic acid (PubChem CID 117258805) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)oxetane-2-carboxylic acid.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)oxetane-2-carboxylic acid
PubChem CID117258805
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-(3-hydroxyphenyl)oxetane-2-carboxylic acid
SMILESO=C(O)C1(c2cccc(O)c2)CCO1
InChIInChI=1S/C10H10O4/c11-8-3-1-2-7(6-8)10(9(12)13)4-5-14-10/h1-3,6,11H,4-5H2,(H,12,13)
InChIKeyCWAQGGPVOBLKDP-UHFFFAOYSA-N
XLogP1.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenyl]oxetane-2-carboxylic acid
CID 117258800
1-(3-hydroxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 131320664
3-fluoro-1-(3-hydroxyphenyl)cyclobutane-1-carboxylic acid
CID 105463774
3-(1-aminocyclopropyl)phenol
CID 55296554
[1-(3-hydroxyphenyl)cyclopentyl] acetate
CID 169012987
2-(3-hydroxyphenyl)-1,3-oxazolidine-2-carbaldehyde
CID 174755840
2-phenanthren-3-yloxolane-2-carboxylic acid
CID 174777759
(2R)-2-[3-(4-fluorophenoxy)phenyl]oxirane-2-carboxylic acid
CID 88610888
3-(1-bicyclo[1.1.1]pentanyl)phenol
CID 122235352
4-[[(3-hydroxybenzoyl)amino]methyl]oxane-4-carboxylic acid
CID 115438410
3-(1-aminocyclobutyl)phenol
CID 82596466
3-(2-oxabicyclo[2.2.1]heptan-1-yl)phenol
CID 115063837

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)oxetane-2-carboxylic acid?
The IUPAC name of 2-(3-hydroxyphenyl)oxetane-2-carboxylic acid (CID 117258805) is 2-(3-hydroxyphenyl)oxetane-2-carboxylic acid.
What is the SMILES notation for 2-(3-hydroxyphenyl)oxetane-2-carboxylic acid?
The canonical SMILES for 2-(3-hydroxyphenyl)oxetane-2-carboxylic acid is O=C(O)C1(c2cccc(O)c2)CCO1.
What is the InChIKey of 2-(3-hydroxyphenyl)oxetane-2-carboxylic acid?
The InChIKey is CWAQGGPVOBLKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c11-8-3-1-2-7(6-8)10(9(12)13)4-5-14-10/h1-3,6,11H,4-5H2,(H,12,13).
What are the key properties of 2-(3-hydroxyphenyl)oxetane-2-carboxylic acid?
2-(3-hydroxyphenyl)oxetane-2-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)oxetane-2-carboxylic acid is sourced from PubChem (CID 117258805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).