ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone

C17H20O3 — CID 164952151

IUPACethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone
SMILESCC.CCc1cccc(O)c1C(=O)c1ccccc1O
InChIInChI=1S/C15H14O3.C2H6/c1-2-10-6-5-9-13(17)14(10)15(18)11-7-3-4-8-12(11)16;1-2/h3-9,16-17H,2H2,1H3;1-2H3
InChIKeyARICIHUVSFWHET-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.92
Rot. Bonds3

About ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone

ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone (PubChem CID 164952151) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Nameethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone
PubChem CID164952151
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Nameethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone
SMILESCC.CCc1cccc(O)c1C(=O)c1ccccc1O
InChIInChI=1S/C15H14O3.C2H6/c1-2-10-6-5-9-13(17)14(10)15(18)11-7-3-4-8-12(11)16;1-2/h3-9,16-17H,2H2,1H3;1-2H3
InChIKeyARICIHUVSFWHET-UHFFFAOYSA-N
XLogP3.92
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
The IUPAC name of ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone (CID 164952151) is ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone is CC.CCc1cccc(O)c1C(=O)c1ccccc1O.
What is the InChIKey of ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
The InChIKey is ARICIHUVSFWHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3.C2H6/c1-2-10-6-5-9-13(17)14(10)15(18)11-7-3-4-8-12(11)16;1-2/h3-9,16-17H,2H2,1H3;1-2H3.
What are the key properties of ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone?
ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone has a molecular weight of 272.34 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-ethyl-6-hydroxyphenyl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 164952151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).