5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid

C14H12O5 — CID 117221103

IUPAC5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
SMILESO=C(O)c1cc(O)ccc1COc1ccccc1O
InChIInChI=1S/C14H12O5/c15-10-6-5-9(11(7-10)14(17)18)8-19-13-4-2-1-3-12(13)16/h1-7,15-16H,8H2,(H,17,18)
InChIKeyCFTKWVYQOKPRCM-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.38
Rot. Bonds4

About 5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid

5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid (PubChem CID 117221103) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
PubChem CID117221103
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid
SMILESO=C(O)c1cc(O)ccc1COc1ccccc1O
InChIInChI=1S/C14H12O5/c15-10-6-5-9(11(7-10)14(17)18)8-19-13-4-2-1-3-12(13)16/h1-7,15-16H,8H2,(H,17,18)
InChIKeyCFTKWVYQOKPRCM-UHFFFAOYSA-N
XLogP2.38
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chlorophenoxy)methyl]-5-hydroxybenzoic acid
CID 117221100
3-fluoro-4-[(2-hydroxyphenoxy)methyl]phenol
CID 117219510
5-fluoro-2-[[2-(hydroxymethyl)phenoxy]methyl]benzoic acid
CID 63679246
2-[(2-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221035
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
5-fluoro-2-[(2-fluoroquinolin-4-yl)oxymethyl]benzoic acid
CID 142907385
3-[(2-hydroxyphenoxy)methyl]-1-benzofuran-4-carboxylic acid
CID 117170500
4-[(2-hydroxyphenoxy)methyl]-2-(trifluoromethyl)benzoic acid
CID 117220275
2-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 62198104
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
2-[(2-bromo-4-fluorophenoxy)methyl]-5-fluorobenzoic acid
CID 63292656
5-hydroxy-2-propylbenzoic acid
CID 23105136

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid (CID 117221103) is 5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid is O=C(O)c1cc(O)ccc1COc1ccccc1O.
What is the InChIKey of 5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid?
The InChIKey is CFTKWVYQOKPRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c15-10-6-5-9(11(7-10)14(17)18)8-19-13-4-2-1-3-12(13)16/h1-7,15-16H,8H2,(H,17,18).
What are the key properties of 5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid?
5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid has a molecular weight of 260.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(2-hydroxyphenoxy)methyl]benzoic acid is sourced from PubChem (CID 117221103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).