2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone

C13H16O2 — CID 103455896

IUPAC2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone
SMILESCCc1ccc(C(=O)C(O)C2CC2)cc1
InChIInChI=1S/C13H16O2/c1-2-9-3-5-10(6-4-9)12(14)13(15)11-7-8-11/h3-6,11,13,15H,2,7-8H2,1H3
InChIKeyTZELXAGBVGZTRB-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.20
Rot. Bonds4

About 2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone

2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone (PubChem CID 103455896) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone
PubChem CID103455896
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone
SMILESCCc1ccc(C(=O)C(O)C2CC2)cc1
InChIInChI=1S/C13H16O2/c1-2-9-3-5-10(6-4-9)12(14)13(15)11-7-8-11/h3-6,11,13,15H,2,7-8H2,1H3
InChIKeyTZELXAGBVGZTRB-UHFFFAOYSA-N
XLogP2.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-4-ethylbenzamide
CID 63294170
2-cyclopropyl-1-(3,4-dimethylphenyl)-2-hydroxyethanone
CID 103455717
methyl 3-(cyclopropylamino)-4-(4-ethylphenyl)-4-oxobutanoate
CID 82347728
1-(4-ethylphenyl)-2-[methyl(thiolan-3-yl)amino]propan-1-one
CID 62051971
2-cyclobutyloxy-1-(4-ethylphenyl)propan-1-one
CID 62142171
2-[cyclopropyl(ethyl)amino]-1-(4-ethylphenyl)propan-1-one
CID 43794990
2-(cyclopentylamino)-1-(4-ethylphenyl)propan-1-one
CID 82100230
1-(4-tert-butylphenyl)-2-cyclohexyl-2-hydroxyethanone
CID 103457627
1-(4-ethylphenyl)-2-(4-methylpiperidin-1-yl)propan-1-one
CID 43228135
1-(4-ethylphenyl)-2-phenylpropan-1-one
CID 14686087
[4-(hydroxymethyl)cyclohexyl]methyl 4-[2-hydroxy-2-(4-methoxycyclohexyl)acetyl]benzoate
CID 159543394
2-(cyclopentylmethoxy)-1-(4-ethylphenyl)propan-1-one
CID 66322866

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone?
The IUPAC name of 2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone (CID 103455896) is 2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone.
What is the SMILES notation for 2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone?
The canonical SMILES for 2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone is CCc1ccc(C(=O)C(O)C2CC2)cc1.
What is the InChIKey of 2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone?
The InChIKey is TZELXAGBVGZTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-9-3-5-10(6-4-9)12(14)13(15)11-7-8-11/h3-6,11,13,15H,2,7-8H2,1H3.
What are the key properties of 2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone?
2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone has a molecular weight of 204.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-ethylphenyl)-2-hydroxyethanone is sourced from PubChem (CID 103455896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).