2-[4-(3-methylbut-2-enoxy)phenyl]ethanol

C13H18O2 — CID 10398072

IUPAC2-[4-(3-methylbut-2-enoxy)phenyl]ethanol
SMILESCC(C)=CCOc1ccc(CCO)cc1
InChIInChI=1S/C13H18O2/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h3-6,8,14H,7,9-10H2,1-2H3
InChIKeyIBVFUNAQXWFZQB-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.57
Rot. Bonds5

About 2-[4-(3-methylbut-2-enoxy)phenyl]ethanol

2-[4-(3-methylbut-2-enoxy)phenyl]ethanol (PubChem CID 10398072) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-[4-(3-methylbut-2-enoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-(3-methylbut-2-enoxy)phenyl]ethanol
PubChem CID10398072
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-[4-(3-methylbut-2-enoxy)phenyl]ethanol
SMILESCC(C)=CCOc1ccc(CCO)cc1
InChIInChI=1S/C13H18O2/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h3-6,8,14H,7,9-10H2,1-2H3
InChIKeyIBVFUNAQXWFZQB-UHFFFAOYSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methylbut-2-enoxy)phenyl]ethanol?
The IUPAC name of 2-[4-(3-methylbut-2-enoxy)phenyl]ethanol (CID 10398072) is 2-[4-(3-methylbut-2-enoxy)phenyl]ethanol.
What is the SMILES notation for 2-[4-(3-methylbut-2-enoxy)phenyl]ethanol?
The canonical SMILES for 2-[4-(3-methylbut-2-enoxy)phenyl]ethanol is CC(C)=CCOc1ccc(CCO)cc1.
What is the InChIKey of 2-[4-(3-methylbut-2-enoxy)phenyl]ethanol?
The InChIKey is IBVFUNAQXWFZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h3-6,8,14H,7,9-10H2,1-2H3.
What are the key properties of 2-[4-(3-methylbut-2-enoxy)phenyl]ethanol?
2-[4-(3-methylbut-2-enoxy)phenyl]ethanol has a molecular weight of 206.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methylbut-2-enoxy)phenyl]ethanol is sourced from PubChem (CID 10398072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).