1-phenoxyprop-2-enylbenzene

C15H14O — CID 11735962

IUPAC1-phenoxyprop-2-enylbenzene
SMILESC=CC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O/c1-2-15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h2-12,15H,1H2
InChIKeyMNAOAMBRWJXLQM-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.99
Rot. Bonds4

About 1-phenoxyprop-2-enylbenzene

1-phenoxyprop-2-enylbenzene (PubChem CID 11735962) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-phenoxyprop-2-enylbenzene.

Molecular Properties

Compound Name1-phenoxyprop-2-enylbenzene
PubChem CID11735962
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name1-phenoxyprop-2-enylbenzene
SMILESC=CC(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14O/c1-2-15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h2-12,15H,1H2
InChIKeyMNAOAMBRWJXLQM-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.99
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-phenoxyprop-2-enylbenzene?
The IUPAC name of 1-phenoxyprop-2-enylbenzene (CID 11735962) is 1-phenoxyprop-2-enylbenzene.
What is the SMILES notation for 1-phenoxyprop-2-enylbenzene?
The canonical SMILES for 1-phenoxyprop-2-enylbenzene is C=CC(Oc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenoxyprop-2-enylbenzene?
The InChIKey is MNAOAMBRWJXLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-2-15(13-9-5-3-6-10-13)16-14-11-7-4-8-12-14/h2-12,15H,1H2.
What are the key properties of 1-phenoxyprop-2-enylbenzene?
1-phenoxyprop-2-enylbenzene has a molecular weight of 210.28 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxyprop-2-enylbenzene is sourced from PubChem (CID 11735962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).