1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene

C14H20O2 — CID 129010802

IUPAC1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OC(C)CC
InChIInChI=1S/C14H20O2/c1-5-7-12-10-13(15-4)8-9-14(12)16-11(3)6-2/h5,8-11H,1,6-7H2,2-4H3
InChIKeyWKQMZVGJDIQHLM-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.60
Rot. Bonds6

About 1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene

1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene (PubChem CID 129010802) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene
PubChem CID129010802
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OC(C)CC
InChIInChI=1S/C14H20O2/c1-5-7-12-10-13(15-4)8-9-14(12)16-11(3)6-2/h5,8-11H,1,6-7H2,2-4H3
InChIKeyWKQMZVGJDIQHLM-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
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-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene?
The IUPAC name of 1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene (CID 129010802) is 1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene?
The canonical SMILES for 1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene is C=CCc1cc(OC)ccc1OC(C)CC.
What is the InChIKey of 1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene?
The InChIKey is WKQMZVGJDIQHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-5-7-12-10-13(15-4)8-9-14(12)16-11(3)6-2/h5,8-11H,1,6-7H2,2-4H3.
What are the key properties of 1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene?
1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene has a molecular weight of 220.31 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yloxy-4-methoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 129010802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).