1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene

C15H22O — CID 140835221

IUPAC1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene
SMILESCCc1ccc(/C=C/COC(C)(C)C)cc1
InChIInChI=1S/C15H22O/c1-5-13-8-10-14(11-9-13)7-6-12-16-15(2,3)4/h6-11H,5,12H2,1-4H3/b7-6+
InChIKeyLUPVLAGITHZCHC-VOTSOKGWSA-N
MW218.34 g/mol
LogP4.08
Rot. Bonds4

About 1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene

1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene (PubChem CID 140835221) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene
PubChem CID140835221
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene
SMILESCCc1ccc(/C=C/COC(C)(C)C)cc1
InChIInChI=1S/C15H22O/c1-5-13-8-10-14(11-9-13)7-6-12-16-15(2,3)4/h6-11H,5,12H2,1-4H3/b7-6+
InChIKeyLUPVLAGITHZCHC-VOTSOKGWSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene?
The IUPAC name of 1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene (CID 140835221) is 1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene.
What is the SMILES notation for 1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene?
The canonical SMILES for 1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene is CCc1ccc(/C=C/COC(C)(C)C)cc1.
What is the InChIKey of 1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene?
The InChIKey is LUPVLAGITHZCHC-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H22O/c1-5-13-8-10-14(11-9-13)7-6-12-16-15(2,3)4/h6-11H,5,12H2,1-4H3/b7-6+.
What are the key properties of 1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene?
1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene has a molecular weight of 218.34 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-3-[(2-methylpropan-2-yl)oxy]prop-1-enyl]benzene is sourced from PubChem (CID 140835221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).