1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene

C18H20O — CID 23726770

IUPAC1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene
SMILESCC/C=C/C(C)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C18H20O/c1-3-4-10-15(2)19-18-14-9-8-13-17(18)16-11-6-5-7-12-16/h4-15H,3H2,1-2H3/b10-4+
InChIKeyJIYFQJFFDVCGTH-ONNFQVAWSA-N
MW252.36 g/mol
LogP5.09
Rot. Bonds5

About 1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene

1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene (PubChem CID 23726770) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene.

Molecular Properties

Compound Name1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene
PubChem CID23726770
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene
SMILESCC/C=C/C(C)Oc1ccccc1-c1ccccc1
InChIInChI=1S/C18H20O/c1-3-4-10-15(2)19-18-14-9-8-13-17(18)16-11-6-5-7-12-16/h4-15H,3H2,1-2H3/b10-4+
InChIKeyJIYFQJFFDVCGTH-ONNFQVAWSA-N
XLogP5.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.36
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene?
The IUPAC name of 1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene (CID 23726770) is 1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene.
What is the SMILES notation for 1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene?
The canonical SMILES for 1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene is CC/C=C/C(C)Oc1ccccc1-c1ccccc1.
What is the InChIKey of 1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene?
The InChIKey is JIYFQJFFDVCGTH-ONNFQVAWSA-N. The full InChI is InChI=1S/C18H20O/c1-3-4-10-15(2)19-18-14-9-8-13-17(18)16-11-6-5-7-12-16/h4-15H,3H2,1-2H3/b10-4+.
What are the key properties of 1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene?
1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene has a molecular weight of 252.36 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-hex-3-en-2-yl]oxy-2-phenylbenzene is sourced from PubChem (CID 23726770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).