1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone

C11H14O2 — CID 51358166

IUPAC1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone
SMILESCCc1cc(C(C)=O)ccc1CO
InChIInChI=1S/C11H14O2/c1-3-9-6-10(8(2)13)4-5-11(9)7-12/h4-6,12H,3,7H2,1-2H3
InChIKeyUAOSVSMWAUFYMM-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.94
Rot. Bonds3

About 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone

1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone (PubChem CID 51358166) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone
PubChem CID51358166
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone
SMILESCCc1cc(C(C)=O)ccc1CO
InChIInChI=1S/C11H14O2/c1-3-9-6-10(8(2)13)4-5-11(9)7-12/h4-6,12H,3,7H2,1-2H3
InChIKeyUAOSVSMWAUFYMM-UHFFFAOYSA-N
XLogP1.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone?
The IUPAC name of 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone (CID 51358166) is 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone is CCc1cc(C(C)=O)ccc1CO.
What is the InChIKey of 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone?
The InChIKey is UAOSVSMWAUFYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-9-6-10(8(2)13)4-5-11(9)7-12/h4-6,12H,3,7H2,1-2H3.
What are the key properties of 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone?
1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone has a molecular weight of 178.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-(hydroxymethyl)phenyl]ethanone is sourced from PubChem (CID 51358166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).