2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid

C10H10O6 — CID 141345171

IUPAC2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid
SMILESCC(=O)OC(O)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C10H10O6/c1-6(11)16-10(15,9(13)14)7-2-4-8(12)5-3-7/h2-5,12,15H,1H3,(H,13,14)
InChIKeyCPYKITFPDOFWNL-UHFFFAOYSA-N
MW226.18 g/mol
LogP0.19
Rot. Bonds3

About 2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid

2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid (PubChem CID 141345171) has the molecular formula C10H10O6 and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid.

Molecular Properties

Compound Name2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid
PubChem CID141345171
Molecular FormulaC10H10O6
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid
SMILESCC(=O)OC(O)(C(=O)O)c1ccc(O)cc1
InChIInChI=1S/C10H10O6/c1-6(11)16-10(15,9(13)14)7-2-4-8(12)5-3-7/h2-5,12,15H,1H3,(H,13,14)
InChIKeyCPYKITFPDOFWNL-UHFFFAOYSA-N
XLogP0.19
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-acetyloxy-3-hydroxy-2-oxo-3-phenylpropanoic acid
CID 91042955
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
[3-(4-hydroxyphenyl)-2,3-dimethylbutan-2-yl] acetate;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 90877791
[2-(4-hydroxyphenyl)-2-methylpropyl] acetate
CID 139774569
1,1-bis(4-hydroxyphenyl)ethyl 2-methylbut-2-enoate
CID 66735022
(3R)-3-(4-hydroxyphenyl)-3-phenylbutan-2-one
CID 86338935
2-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 43753640
methyl 2-hydroxy-2-(4-hydroxyphenyl)propanoate
CID 572033
bis(benzene-1,4-diol);carbonic acid
CID 68999082
1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479
2-(4-hydroxyphenyl)-2-sulfanylbutanoic acid
CID 87184437
(3-acetyloxy-2,3-diphenylbutan-2-yl) acetate
CID 135011938

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid?
The IUPAC name of 2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid (CID 141345171) is 2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid.
What is the SMILES notation for 2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid?
The canonical SMILES for 2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid is CC(=O)OC(O)(C(=O)O)c1ccc(O)cc1.
What is the InChIKey of 2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid?
The InChIKey is CPYKITFPDOFWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6/c1-6(11)16-10(15,9(13)14)7-2-4-8(12)5-3-7/h2-5,12,15H,1H3,(H,13,14).
What are the key properties of 2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid?
2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid has a molecular weight of 226.18 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxy-2-hydroxy-2-(4-hydroxyphenyl)acetic acid is sourced from PubChem (CID 141345171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).