1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone

C12H14O3 — CID 14523499

IUPAC1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone
SMILESC=C(C)COc1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C12H14O3/c1-8(2)7-15-10-4-5-11(9(3)13)12(14)6-10/h4-6,14H,1,7H2,2-3H3
InChIKeyDFSANXZAGMXGOE-UHFFFAOYSA-N
MW206.24 g/mol
LogP2.55
Rot. Bonds4

About 1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone

1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone (PubChem CID 14523499) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone
PubChem CID14523499
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone
SMILESC=C(C)COc1ccc(C(C)=O)c(O)c1
InChIInChI=1S/C12H14O3/c1-8(2)7-15-10-4-5-11(9(3)13)12(14)6-10/h4-6,14H,1,7H2,2-3H3
InChIKeyDFSANXZAGMXGOE-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,2-dimethoxyethoxy)-2-hydroxyphenyl]ethanone
CID 91620245
1-[4-(3-chloroprop-2-ynoxy)-2-hydroxyphenyl]ethanone
CID 53441388
1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride
CID 24382
5-(4-acetyl-3-hydroxyphenoxy)pentanenitrile
CID 15747299
1-[2-fluoro-4-(2-methylidenebutoxy)phenyl]ethanone
CID 103907370
2-(3-hydroxy-4-prop-1-en-2-ylphenoxy)ethyl acetate
CID 143230864
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
2-hydroxy-5-(2-methylprop-2-enoxy)benzonitrile
CID 130411265
[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 123278935
1-[4-(4-ethoxyphenyl)-2-hydroxyphenyl]ethanone
CID 3584432
1-[4-[2-(chloromethyl)prop-2-enoxy]-2-fluorophenyl]ethanone
CID 107715578

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone?
The IUPAC name of 1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone (CID 14523499) is 1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone is C=C(C)COc1ccc(C(C)=O)c(O)c1.
What is the InChIKey of 1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone?
The InChIKey is DFSANXZAGMXGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-8(2)7-15-10-4-5-11(9(3)13)12(14)6-10/h4-6,14H,1,7H2,2-3H3.
What are the key properties of 1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone?
1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone has a molecular weight of 206.24 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-4-(2-methylprop-2-enoxy)phenyl]ethanone is sourced from PubChem (CID 14523499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).