2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid

C10H12O5 — CID 117302661

IUPAC2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1ccc(C(O)C(=O)O)cc1O
InChIInChI=1S/C10H12O5/c1-15-5-7-3-2-6(4-8(7)11)9(12)10(13)14/h2-4,9,11-12H,5H2,1H3,(H,13,14)
InChIKeyROLHGBANJCKYMU-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.66
Rot. Bonds4

About 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid

2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid (PubChem CID 117302661) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid
PubChem CID117302661
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1ccc(C(O)C(=O)O)cc1O
InChIInChI=1S/C10H12O5/c1-15-5-7-3-2-6(4-8(7)11)9(12)10(13)14/h2-4,9,11-12H,5H2,1H3,(H,13,14)
InChIKeyROLHGBANJCKYMU-UHFFFAOYSA-N
XLogP0.66
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-2-[3-hydroxy-4-(3-oxopropyl)phenyl]acetic acid
CID 134657277
(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
CID 57154315
(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
CID 57059044
2-[4-(2-cyanoethyl)-3-hydroxyphenyl]-2-hydroxyacetic acid
CID 134657237
(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)acetic acid
CID 736173
ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117357409
2-(3,4-dihydroxyphenyl)-2-hydroxyacetic acid;2-hydroxyacetic acid
CID 160845823
methyl 2-[3-bromo-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117466740
2-amino-2-[3-chloro-4-(methoxymethyl)phenyl]acetic acid
CID 83893924
2-hydroxy-2-[3-(hydroxymethyl)-4-(2-oxopropyl)phenyl]acetic acid
CID 134657390
2-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetic acid
CID 117374799
methyl 2-[2-hydroxy-4-[hydroxy(phenyl)methyl]phenyl]acetate
CID 142993000

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid (CID 117302661) is 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid is COCc1ccc(C(O)C(=O)O)cc1O.
What is the InChIKey of 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid?
The InChIKey is ROLHGBANJCKYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5/c1-15-5-7-3-2-6(4-8(7)11)9(12)10(13)14/h2-4,9,11-12H,5H2,1H3,(H,13,14).
What are the key properties of 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid?
2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid has a molecular weight of 212.20 g/mol, XLogP of 0.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[3-hydroxy-4-(methoxymethyl)phenyl]acetic acid is sourced from PubChem (CID 117302661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).