2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid

C12H14O6 — CID 135740859

IUPAC2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid
SMILESCOC(=O)CCc1cccc(O)c1C(O)C(=O)O
InChIInChI=1S/C12H14O6/c1-18-9(14)6-5-7-3-2-4-8(13)10(7)11(15)12(16)17/h2-4,11,13,15H,5-6H2,1H3,(H,16,17)
InChIKeyMNGAEXPRDWJKDV-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.62
Rot. Bonds5

About 2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid

2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid (PubChem CID 135740859) has the molecular formula C12H14O6 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid
PubChem CID135740859
Molecular FormulaC12H14O6
Molecular Weight254.24 g/mol
Exact Mass254.08
IUPAC Name2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid
SMILESCOC(=O)CCc1cccc(O)c1C(O)C(=O)O
InChIInChI=1S/C12H14O6/c1-18-9(14)6-5-7-3-2-4-8(13)10(7)11(15)12(16)17/h2-4,11,13,15H,5-6H2,1H3,(H,16,17)
InChIKeyMNGAEXPRDWJKDV-UHFFFAOYSA-N
XLogP0.62
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(bromomethyl)-6-(3-methoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118804403
2-[3-ethyl-2-(3-methoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656954
2-[2-(3-ethoxy-3-oxopropyl)-6-fluorophenyl]-2-hydroxyacetic acid
CID 118847911
3-[2-[carboxy(hydroxy)methyl]-3-methylphenyl]propanoic acid
CID 118836363
methyl 3-(3-bromo-2-hydroxyphenyl)propanoate
CID 150268670
2-[3-bromo-2-(3-methoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 134656123
methyl 3-(2-amino-3-ethylphenyl)propanoate
CID 138486943
2-hydroxy-2-[4-(hydroxymethyl)-2-(3-methoxy-3-oxopropyl)phenyl]acetic acid
CID 118806428
4-[2-(3-methoxy-3-oxopropyl)phenyl]butanoic acid
CID 18944108
ethane;methyl 3-(3-ethyl-2-methylphenyl)propanoate
CID 144828792
2-[4-formyl-3-(3-methoxy-3-oxopropyl)phenyl]-2-hydroxyacetic acid
CID 118833423
methyl 3-[3-(difluoromethoxy)-2-hydroxyphenyl]propanoate
CID 134634568

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid (CID 135740859) is 2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid is COC(=O)CCc1cccc(O)c1C(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid?
The InChIKey is MNGAEXPRDWJKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O6/c1-18-9(14)6-5-7-3-2-4-8(13)10(7)11(15)12(16)17/h2-4,11,13,15H,5-6H2,1H3,(H,16,17).
What are the key properties of 2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid?
2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid has a molecular weight of 254.24 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-hydroxy-6-(3-methoxy-3-oxopropyl)phenyl]acetic acid is sourced from PubChem (CID 135740859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).