1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone

C17H18O3 — CID 4205337

IUPAC1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone
SMILESCCc1cc(C(=O)Cc2ccccc2C)c(O)cc1O
InChIInChI=1S/C17H18O3/c1-3-12-8-14(17(20)10-15(12)18)16(19)9-13-7-5-4-6-11(13)2/h4-8,10,18,20H,3,9H2,1-2H3
InChIKeyFLFCYPFBWBZDOD-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.39
Rot. Bonds4

About 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone

1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone (PubChem CID 4205337) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone
PubChem CID4205337
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone
SMILESCCc1cc(C(=O)Cc2ccccc2C)c(O)cc1O
InChIInChI=1S/C17H18O3/c1-3-12-8-14(17(20)10-15(12)18)16(19)9-13-7-5-4-6-11(13)2/h4-8,10,18,20H,3,9H2,1-2H3
InChIKeyFLFCYPFBWBZDOD-UHFFFAOYSA-N
XLogP3.39
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone (CID 4205337) is 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone is CCc1cc(C(=O)Cc2ccccc2C)c(O)cc1O.
What is the InChIKey of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone?
The InChIKey is FLFCYPFBWBZDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-12-8-14(17(20)10-15(12)18)16(19)9-13-7-5-4-6-11(13)2/h4-8,10,18,20H,3,9H2,1-2H3.
What are the key properties of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone?
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone has a molecular weight of 270.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 4205337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).