3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol

C16H24O2 — CID 89347859

IUPAC3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol
SMILESC=Cc1cccc(COC(CC)(CC)CCO)c1
InChIInChI=1S/C16H24O2/c1-4-14-8-7-9-15(12-14)13-18-16(5-2,6-3)10-11-17/h4,7-9,12,17H,1,5-6,10-11,13H2,2-3H3
InChIKeyKZFRCHXECJPBCY-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.79
Rot. Bonds8

About 3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol

3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol (PubChem CID 89347859) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol.

Molecular Properties

Compound Name3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol
PubChem CID89347859
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol
SMILESC=Cc1cccc(COC(CC)(CC)CCO)c1
InChIInChI=1S/C16H24O2/c1-4-14-8-7-9-15(12-14)13-18-16(5-2,6-3)10-11-17/h4,7-9,12,17H,1,5-6,10-11,13H2,2-3H3
InChIKeyKZFRCHXECJPBCY-UHFFFAOYSA-N
XLogP3.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol?
The IUPAC name of 3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol (CID 89347859) is 3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol.
What is the SMILES notation for 3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol?
The canonical SMILES for 3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol is C=Cc1cccc(COC(CC)(CC)CCO)c1.
What is the InChIKey of 3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol?
The InChIKey is KZFRCHXECJPBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c1-4-14-8-7-9-15(12-14)13-18-16(5-2,6-3)10-11-17/h4,7-9,12,17H,1,5-6,10-11,13H2,2-3H3.
What are the key properties of 3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol?
3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethenylphenyl)methoxy]-3-ethylpentan-1-ol is sourced from PubChem (CID 89347859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).