[4-(2-hydroxy-2-methylpropanoyl)phenyl] formate

C11H12O4 — CID 118441613

IUPAC[4-(2-hydroxy-2-methylpropanoyl)phenyl] formate
SMILESCC(C)(O)C(=O)c1ccc(OC=O)cc1
InChIInChI=1S/C11H12O4/c1-11(2,14)10(13)8-3-5-9(6-4-8)15-7-12/h3-7,14H,1-2H3
InChIKeyKRCKGTPWGAITIX-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.18
Rot. Bonds4

About [4-(2-hydroxy-2-methylpropanoyl)phenyl] formate

[4-(2-hydroxy-2-methylpropanoyl)phenyl] formate (PubChem CID 118441613) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is [4-(2-hydroxy-2-methylpropanoyl)phenyl] formate.

Molecular Properties

Compound Name[4-(2-hydroxy-2-methylpropanoyl)phenyl] formate
PubChem CID118441613
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name[4-(2-hydroxy-2-methylpropanoyl)phenyl] formate
SMILESCC(C)(O)C(=O)c1ccc(OC=O)cc1
InChIInChI=1S/C11H12O4/c1-11(2,14)10(13)8-3-5-9(6-4-8)15-7-12/h3-7,14H,1-2H3
InChIKeyKRCKGTPWGAITIX-UHFFFAOYSA-N
XLogP1.18
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
2-hydroxy-1-[4-(hydroxymethoxy)phenyl]-2-methylpropan-1-one;methane
CID 162256777
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
(4-tert-butylphenyl) formate
CID 15727718
(4-prop-1-en-2-ylphenyl) formate
CID 89249503
4-[bis(4-carboxyphenyl)-(4-formyloxyphenyl)methyl]benzoic acid
CID 162704125
2-hydroxy-2-methyl-1-[4-[methyl(trimethylsilyloxy)silyl]oxyphenyl]propan-1-one
CID 123253978
2-hydroxy-1-[4-(2-hydroxypropan-2-yl)phenyl]-2-methylpropan-1-one
CID 68739045
tris[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl] benzene-1,3,5-tricarboxylate
CID 135308581
2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one
CID 66648781
2-hydroxy-1-[4-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyldisulfanyl]ethoxy]phenyl]-2-methylpropan-1-one
CID 162507967
[4-(2-hydroxy-2-methylpropanoyl)phenoxy]methyl prop-2-enoate
CID 155152868

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxy-2-methylpropanoyl)phenyl] formate?
The IUPAC name of [4-(2-hydroxy-2-methylpropanoyl)phenyl] formate (CID 118441613) is [4-(2-hydroxy-2-methylpropanoyl)phenyl] formate.
What is the SMILES notation for [4-(2-hydroxy-2-methylpropanoyl)phenyl] formate?
The canonical SMILES for [4-(2-hydroxy-2-methylpropanoyl)phenyl] formate is CC(C)(O)C(=O)c1ccc(OC=O)cc1.
What is the InChIKey of [4-(2-hydroxy-2-methylpropanoyl)phenyl] formate?
The InChIKey is KRCKGTPWGAITIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c1-11(2,14)10(13)8-3-5-9(6-4-8)15-7-12/h3-7,14H,1-2H3.
What are the key properties of [4-(2-hydroxy-2-methylpropanoyl)phenyl] formate?
[4-(2-hydroxy-2-methylpropanoyl)phenyl] formate has a molecular weight of 208.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxy-2-methylpropanoyl)phenyl] formate is sourced from PubChem (CID 118441613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).