2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol

C16H24O2 — CID 68519001

IUPAC2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol
SMILESC=COC(C)(CC)c1cccc(C(C)(O)CC)c1
InChIInChI=1S/C16H24O2/c1-6-15(4,17)13-10-9-11-14(12-13)16(5,7-2)18-8-3/h8-12,17H,3,6-7H2,1-2,4-5H3
InChIKeySOCDOMPRSRLFFK-UHFFFAOYSA-N
MW248.37 g/mol
LogP4.09
Rot. Bonds6

About 2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol

2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol (PubChem CID 68519001) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol.

Molecular Properties

Compound Name2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol
PubChem CID68519001
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol
SMILESC=COC(C)(CC)c1cccc(C(C)(O)CC)c1
InChIInChI=1S/C16H24O2/c1-6-15(4,17)13-10-9-11-14(12-13)16(5,7-2)18-8-3/h8-12,17H,3,6-7H2,1-2,4-5H3
InChIKeySOCDOMPRSRLFFK-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol?
The IUPAC name of 2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol (CID 68519001) is 2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol.
What is the SMILES notation for 2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol?
The canonical SMILES for 2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol is C=COC(C)(CC)c1cccc(C(C)(O)CC)c1.
What is the InChIKey of 2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol?
The InChIKey is SOCDOMPRSRLFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-6-15(4,17)13-10-9-11-14(12-13)16(5,7-2)18-8-3/h8-12,17H,3,6-7H2,1-2,4-5H3.
What are the key properties of 2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol?
2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol has a molecular weight of 248.37 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethenoxybutan-2-yl)phenyl]butan-2-ol is sourced from PubChem (CID 68519001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).