2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid

C10H10O5 — CID 172805291

IUPAC2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid
SMILESO=Cc1cccc(OCO)c1CC(=O)O
InChIInChI=1S/C10H10O5/c11-5-7-2-1-3-9(15-6-12)8(7)4-10(13)14/h1-3,5,12H,4,6H2,(H,13,14)
InChIKeyRKQSBKAMNGBZCP-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.45
Rot. Bonds5

About 2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid

2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid (PubChem CID 172805291) has the molecular formula C10H10O5 and a molecular weight of 210.19 g/mol. Its IUPAC name is 2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid
PubChem CID172805291
Molecular FormulaC10H10O5
Molecular Weight210.19 g/mol
Exact Mass210.05
IUPAC Name2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid
SMILESO=Cc1cccc(OCO)c1CC(=O)O
InChIInChI=1S/C10H10O5/c11-5-7-2-1-3-9(15-6-12)8(7)4-10(13)14/h1-3,5,12H,4,6H2,(H,13,14)
InChIKeyRKQSBKAMNGBZCP-UHFFFAOYSA-N
XLogP0.45
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-diformylphenoxy)acetic acid
CID 163373860
2-(2-formylphenoxy)acetic acid;hydrate
CID 172655034
2-(2-bromo-3-formylphenyl)acetic acid
CID 175440752
2-[2-(1-bromo-2-oxopropyl)-6-formylphenyl]acetic acid
CID 170837352
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
3-(4-fluoro-2-formylphenoxy)propanoic acid
CID 107697641
ethyl 2-[2-formyl-6-(trifluoromethoxy)phenyl]acetate
CID 170998210
3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 11357203
3-ethyl-2-(hydroxymethyl)benzaldehyde
CID 131495774
2-aminoacetic acid;2,3-difluorobenzaldehyde
CID 23295601
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
2-(2-methyl-6-phenylmethoxyphenyl)acetic acid
CID 14519888

Frequently Asked Questions

What is the IUPAC name of 2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid (CID 172805291) is 2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid is O=Cc1cccc(OCO)c1CC(=O)O.
What is the InChIKey of 2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid?
The InChIKey is RKQSBKAMNGBZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O5/c11-5-7-2-1-3-9(15-6-12)8(7)4-10(13)14/h1-3,5,12H,4,6H2,(H,13,14).
What are the key properties of 2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid?
2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid has a molecular weight of 210.19 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-formyl-6-(hydroxymethoxy)phenyl]acetic acid is sourced from PubChem (CID 172805291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).