1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene

C16H16O — CID 102364052

IUPAC1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene
SMILESCO/C=C(\C)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H16O/c1-13(12-17-2)15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-12H,1-2H3/b13-12+
InChIKeyOPYDODKUBIUBDD-OUKQBFOZSA-N
MW224.30 g/mol
LogP4.36
Rot. Bonds3

About 1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene

1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene (PubChem CID 102364052) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene.

Molecular Properties

Compound Name1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene
PubChem CID102364052
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene
SMILESCO/C=C(\C)c1ccccc1-c1ccccc1
InChIInChI=1S/C16H16O/c1-13(12-17-2)15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-12H,1-2H3/b13-12+
InChIKeyOPYDODKUBIUBDD-OUKQBFOZSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

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1-[3-(2-phenylphenyl)but-2-enyl]pyrrolidine
CID 70619881
1-(4-bromobuta-2,3-dien-2-yl)-2-phenylbenzene
CID 88812919
1-buta-2,3-dien-2-yl-2-phenylbenzene
CID 177461787
1-methyl-4-[3-(2-phenylphenyl)but-2-enyl]piperazine
CID 70595509
3-hydroxy-2-methoxy-3-(2-phenylphenyl)prop-2-enoic acid
CID 70600588
(Z)-3-oxo-1-(2-phenylphenyl)but-1-en-1-olate
CID 134115873
1-[(2E,4E)-5-(4-methylphenyl)hepta-2,4,6-trien-2-yl]azulene
CID 174116925
N-(2-methylprop-1-enyl)-2-phenylbenzamide
CID 13217955
1-(1-azulen-1-ylethenyl)azulene
CID 21389906
methyl 3-(2-phenylphenyl)but-3-enoate
CID 162401170

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene?
The IUPAC name of 1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene (CID 102364052) is 1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene.
What is the SMILES notation for 1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene?
The canonical SMILES for 1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene is CO/C=C(\C)c1ccccc1-c1ccccc1.
What is the InChIKey of 1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene?
The InChIKey is OPYDODKUBIUBDD-OUKQBFOZSA-N. The full InChI is InChI=1S/C16H16O/c1-13(12-17-2)15-10-6-7-11-16(15)14-8-4-3-5-9-14/h3-12H,1-2H3/b13-12+.
What are the key properties of 1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene?
1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene has a molecular weight of 224.30 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1-methoxyprop-1-en-2-yl]-2-phenylbenzene is sourced from PubChem (CID 102364052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).