1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone

C17H18O3 — CID 123412680

IUPAC1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone
SMILESCCc1ccc(Cc2cc(O)cc(C(C)=O)c2)cc1O
InChIInChI=1S/C17H18O3/c1-3-14-5-4-12(9-17(14)20)6-13-7-15(11(2)18)10-16(19)8-13/h4-5,7-10,19-20H,3,6H2,1-2H3
InChIKeyOMWLOIUFLLLMPN-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.45
Rot. Bonds4

About 1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone

1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone (PubChem CID 123412680) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone
PubChem CID123412680
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone
SMILESCCc1ccc(Cc2cc(O)cc(C(C)=O)c2)cc1O
InChIInChI=1S/C17H18O3/c1-3-14-5-4-12(9-17(14)20)6-13-7-15(11(2)18)10-16(19)8-13/h4-5,7-10,19-20H,3,6H2,1-2H3
InChIKeyOMWLOIUFLLLMPN-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 1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone (CID 123412680) is 1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone is CCc1ccc(Cc2cc(O)cc(C(C)=O)c2)cc1O.
What is the InChIKey of 1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone?
The InChIKey is OMWLOIUFLLLMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-14-5-4-12(9-17(14)20)6-13-7-15(11(2)18)10-16(19)8-13/h4-5,7-10,19-20H,3,6H2,1-2H3.
What are the key properties of 1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone?
1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone 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 1-[3-[(4-ethyl-3-hydroxyphenyl)methyl]-5-hydroxyphenyl]ethanone is sourced from PubChem (CID 123412680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).