1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone

C11H14O2 — CID 22089064

IUPAC1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone
SMILESCCc1cc(C(C)=O)c(O)cc1C
InChIInChI=1S/C11H14O2/c1-4-9-6-10(8(3)12)11(13)5-7(9)2/h5-6,13H,4H2,1-3H3
InChIKeyFEELOORXYRPARK-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.47
Rot. Bonds2

About 1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone

1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone (PubChem CID 22089064) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone
PubChem CID22089064
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone
SMILESCCc1cc(C(C)=O)c(O)cc1C
InChIInChI=1S/C11H14O2/c1-4-9-6-10(8(3)12)11(13)5-7(9)2/h5-6,13H,4H2,1-3H3
InChIKeyFEELOORXYRPARK-UHFFFAOYSA-N
XLogP2.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
1-(4,5-diethyl-2-methylphenyl)ethanone
CID 18705096
1-(5-ethyl-2,3,4-trihydroxyphenyl)ethanone
CID 12958459
1-(5-ethyl-4-fluoro-2-methylphenyl)ethanone
CID 117278348
1-(5-ethoxy-4-ethyl-2-hydroxyphenyl)ethanone
CID 171033647
ethane;5-ethyl-2,4-dimethylbenzoic acid
CID 142198563
1-(2-hydroxy-4-iodo-5-methylphenyl)ethanone
CID 58207836
1-[2,4-dihydroxy-5-(2-methylpropyl)phenyl]ethanone
CID 59264780
methyl 5-acetyl-4-hydroxy-2-methylbenzoate
CID 13227613
1-[4-(3-bromopropoxy)-5-ethyl-2-hydroxyphenyl]ethanone
CID 14820100
5-butyl-2-hydroxy-4-methylbenzenecarbothioic S-acid
CID 20560388
1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone
CID 13170022

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone?
The IUPAC name of 1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone (CID 22089064) is 1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone?
The canonical SMILES for 1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone is CCc1cc(C(C)=O)c(O)cc1C.
What is the InChIKey of 1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone?
The InChIKey is FEELOORXYRPARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-4-9-6-10(8(3)12)11(13)5-7(9)2/h5-6,13H,4H2,1-3H3.
What are the key properties of 1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone?
1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone has a molecular weight of 178.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-hydroxy-4-methylphenyl)ethanone is sourced from PubChem (CID 22089064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).