2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol

C12H16O2 — CID 10511942

IUPAC2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol
SMILESCC(/C=C/c1ccccc1)OCCO
InChIInChI=1S/C12H16O2/c1-11(14-10-9-13)7-8-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+
InChIKeyFKRBVRSCKGVPEU-BQYQJAHWSA-N
MW192.26 g/mol
LogP2.10
Rot. Bonds5

About 2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol

2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol (PubChem CID 10511942) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol
PubChem CID10511942
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol
SMILESCC(/C=C/c1ccccc1)OCCO
InChIInChI=1S/C12H16O2/c1-11(14-10-9-13)7-8-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+
InChIKeyFKRBVRSCKGVPEU-BQYQJAHWSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol?
The IUPAC name of 2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol (CID 10511942) is 2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol.
What is the SMILES notation for 2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol?
The canonical SMILES for 2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol is CC(/C=C/c1ccccc1)OCCO.
What is the InChIKey of 2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol?
The InChIKey is FKRBVRSCKGVPEU-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H16O2/c1-11(14-10-9-13)7-8-12-5-3-2-4-6-12/h2-8,11,13H,9-10H2,1H3/b8-7+.
What are the key properties of 2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol?
2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol has a molecular weight of 192.26 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-phenylbut-3-en-2-yl]oxyethanol is sourced from PubChem (CID 10511942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).