4-(1-ethoxybutan-2-yl)phenol

C12H18O2 — CID 89112859

IUPAC4-(1-ethoxybutan-2-yl)phenol
SMILESCCOCC(CC)c1ccc(O)cc1
InChIInChI=1S/C12H18O2/c1-3-10(9-14-4-2)11-5-7-12(13)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyYYQZPAORFRLVOF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.92
Rot. Bonds5

About 4-(1-ethoxybutan-2-yl)phenol

4-(1-ethoxybutan-2-yl)phenol (PubChem CID 89112859) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-(1-ethoxybutan-2-yl)phenol.

Molecular Properties

Compound Name4-(1-ethoxybutan-2-yl)phenol
PubChem CID89112859
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-(1-ethoxybutan-2-yl)phenol
SMILESCCOCC(CC)c1ccc(O)cc1
InChIInChI=1S/C12H18O2/c1-3-10(9-14-4-2)11-5-7-12(13)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3
InChIKeyYYQZPAORFRLVOF-UHFFFAOYSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxybutan-2-yl)phenol?
The IUPAC name of 4-(1-ethoxybutan-2-yl)phenol (CID 89112859) is 4-(1-ethoxybutan-2-yl)phenol.
What is the SMILES notation for 4-(1-ethoxybutan-2-yl)phenol?
The canonical SMILES for 4-(1-ethoxybutan-2-yl)phenol is CCOCC(CC)c1ccc(O)cc1.
What is the InChIKey of 4-(1-ethoxybutan-2-yl)phenol?
The InChIKey is YYQZPAORFRLVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-10(9-14-4-2)11-5-7-12(13)8-6-11/h5-8,10,13H,3-4,9H2,1-2H3.
What are the key properties of 4-(1-ethoxybutan-2-yl)phenol?
4-(1-ethoxybutan-2-yl)phenol has a molecular weight of 194.27 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxybutan-2-yl)phenol is sourced from PubChem (CID 89112859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).