bis(2-ethyl-3-hydroxyphenyl)methanone

C17H18O3 — CID 154331637

IUPACbis(2-ethyl-3-hydroxyphenyl)methanone
SMILESCCc1c(O)cccc1C(=O)c1cccc(O)c1CC
InChIInChI=1S/C17H18O3/c1-3-11-13(7-5-9-15(11)18)17(20)14-8-6-10-16(19)12(14)4-2/h5-10,18-19H,3-4H2,1-2H3
InChIKeyDAOMIAMDGPWQOB-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.45
Rot. Bonds4

About bis(2-ethyl-3-hydroxyphenyl)methanone

bis(2-ethyl-3-hydroxyphenyl)methanone (PubChem CID 154331637) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is bis(2-ethyl-3-hydroxyphenyl)methanone.

Molecular Properties

Compound Namebis(2-ethyl-3-hydroxyphenyl)methanone
PubChem CID154331637
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namebis(2-ethyl-3-hydroxyphenyl)methanone
SMILESCCc1c(O)cccc1C(=O)c1cccc(O)c1CC
InChIInChI=1S/C17H18O3/c1-3-11-13(7-5-9-15(11)18)17(20)14-8-6-10-16(19)12(14)4-2/h5-10,18-19H,3-4H2,1-2H3
InChIKeyDAOMIAMDGPWQOB-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-3-hydroxyphenyl)methanone?
The IUPAC name of bis(2-ethyl-3-hydroxyphenyl)methanone (CID 154331637) is bis(2-ethyl-3-hydroxyphenyl)methanone.
What is the SMILES notation for bis(2-ethyl-3-hydroxyphenyl)methanone?
The canonical SMILES for bis(2-ethyl-3-hydroxyphenyl)methanone is CCc1c(O)cccc1C(=O)c1cccc(O)c1CC.
What is the InChIKey of bis(2-ethyl-3-hydroxyphenyl)methanone?
The InChIKey is DAOMIAMDGPWQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-11-13(7-5-9-15(11)18)17(20)14-8-6-10-16(19)12(14)4-2/h5-10,18-19H,3-4H2,1-2H3.
What are the key properties of bis(2-ethyl-3-hydroxyphenyl)methanone?
bis(2-ethyl-3-hydroxyphenyl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethyl-3-hydroxyphenyl)methanone is sourced from PubChem (CID 154331637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).