1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone

C11H14O3 — CID 115019757

IUPAC1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cccc(O)c1
InChIInChI=1S/C11H14O3/c1-8(2)14-7-11(13)9-4-3-5-10(12)6-9/h3-6,8,12H,7H2,1-2H3
InChIKeyRJYBMGRZSMUADF-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.00
Rot. Bonds4

About 1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone

1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone (PubChem CID 115019757) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
PubChem CID115019757
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1cccc(O)c1
InChIInChI=1S/C11H14O3/c1-8(2)14-7-11(13)9-4-3-5-10(12)6-9/h3-6,8,12H,7H2,1-2H3
InChIKeyRJYBMGRZSMUADF-UHFFFAOYSA-N
XLogP2.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-propan-2-yloxyethanone
CID 43798807
1-naphthalen-2-yl-2-propan-2-yloxyethanone
CID 79567011
2-propan-2-yloxy-1-(3-propoxyphenyl)ethanone
CID 115785301
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206
1-(3,5-dimethylphenyl)-2-propan-2-yloxyethanone
CID 115785051
1-[4-(aminomethyl)phenyl]-2-propan-2-yloxyethanone
CID 116548190
N-[(3-hydroxyphenyl)methyl]-2-propan-2-yloxyacetamide
CID 112686889
N-[1-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxyacetamide
CID 112688965
1-(3-hydroxyphenyl)-3,3-dimethylbutan-1-one
CID 68669606
N-ethyl-N-(3-hydroxyphenyl)-2-propan-2-yloxyacetamide
CID 107736354
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yloxyethanone
CID 43798834
[2-(3-hydroxyphenyl)-2-oxoethyl]azanium chloride
CID 90358317

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone (CID 115019757) is 1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone?
The InChIKey is RJYBMGRZSMUADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(2)14-7-11(13)9-4-3-5-10(12)6-9/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone?
1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone has a molecular weight of 194.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 115019757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).