1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol

C13H18O2 — CID 139885484

IUPAC1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(OC(C)CC)cc1
InChIInChI=1S/C13H18O2/c1-4-10(3)15-12-8-6-11(7-9-12)13(14)5-2/h5-10,13-14H,2,4H2,1,3H3
InChIKeyAANCRWYAAOFVAR-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.08
Rot. Bonds5

About 1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol

1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol (PubChem CID 139885484) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol
PubChem CID139885484
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol
SMILESC=CC(O)c1ccc(OC(C)CC)cc1
InChIInChI=1S/C13H18O2/c1-4-10(3)15-12-8-6-11(7-9-12)13(14)5-2/h5-10,13-14H,2,4H2,1,3H3
InChIKeyAANCRWYAAOFVAR-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
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 1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol?
The IUPAC name of 1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol (CID 139885484) is 1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol?
The canonical SMILES for 1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol is C=CC(O)c1ccc(OC(C)CC)cc1.
What is the InChIKey of 1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol?
The InChIKey is AANCRWYAAOFVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-10(3)15-12-8-6-11(7-9-12)13(14)5-2/h5-10,13-14H,2,4H2,1,3H3.
What are the key properties of 1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol?
1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol has a molecular weight of 206.28 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-yloxyphenyl)prop-2-en-1-ol is sourced from PubChem (CID 139885484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).