3-[(E)-2-phenylethenyl]oxetane

C11H12O — CID 132578776

IUPAC3-[(E)-2-phenylethenyl]oxetane
SMILESC(=C/C1COC1)\c1ccccc1
InChIInChI=1S/C11H12O/c1-2-4-10(5-3-1)6-7-11-8-12-9-11/h1-7,11H,8-9H2/b7-6+
InChIKeyCMQZDLGSHDXLJN-VOTSOKGWSA-N
MW160.22 g/mol
LogP2.35
Rot. Bonds2

About 3-[(E)-2-phenylethenyl]oxetane

3-[(E)-2-phenylethenyl]oxetane (PubChem CID 132578776) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-[(E)-2-phenylethenyl]oxetane.

Molecular Properties

Compound Name3-[(E)-2-phenylethenyl]oxetane
PubChem CID132578776
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name3-[(E)-2-phenylethenyl]oxetane
SMILESC(=C/C1COC1)\c1ccccc1
InChIInChI=1S/C11H12O/c1-2-4-10(5-3-1)6-7-11-8-12-9-11/h1-7,11H,8-9H2/b7-6+
InChIKeyCMQZDLGSHDXLJN-VOTSOKGWSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,3aR,6R,6aR)-3,6-bis(2-phenylethenyl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 170021549
(3R,4S,5R)-2-(2-phenylethenyl)oxane-3,4,5-triol
CID 139734184
4-(2-phenylethenyl)pyrrolidin-2-one
CID 154016573
4-methyl-2-[(E)-2-phenylethenyl]-1,3-dioxolane
CID 6017272
(4S)-4-[(E)-2-(4-phenylphenyl)ethenyl]oxolan-2-ol
CID 102486491
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
(4R)-4-(2-phenylethenyl)-1,3-oxazolidin-2-one
CID 69253686
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919
CID 70569152
CID 70569152
CID 70567885
CID 70567885
12-(2-phenylethenyl)-3,6,9-trioxatetracyclo[9.4.0.02,4.08,10]pentadeca-1(15),11,13-triene
CID 141014694

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-phenylethenyl]oxetane?
The IUPAC name of 3-[(E)-2-phenylethenyl]oxetane (CID 132578776) is 3-[(E)-2-phenylethenyl]oxetane.
What is the SMILES notation for 3-[(E)-2-phenylethenyl]oxetane?
The canonical SMILES for 3-[(E)-2-phenylethenyl]oxetane is C(=C/C1COC1)\c1ccccc1.
What is the InChIKey of 3-[(E)-2-phenylethenyl]oxetane?
The InChIKey is CMQZDLGSHDXLJN-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H12O/c1-2-4-10(5-3-1)6-7-11-8-12-9-11/h1-7,11H,8-9H2/b7-6+.
What are the key properties of 3-[(E)-2-phenylethenyl]oxetane?
3-[(E)-2-phenylethenyl]oxetane has a molecular weight of 160.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-phenylethenyl]oxetane is sourced from PubChem (CID 132578776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).