1-[(E)-but-1-enyl]-4-phenoxybenzene

C16H16O — CID 58787161

IUPAC1-[(E)-but-1-enyl]-4-phenoxybenzene
SMILESCC/C=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16O/c1-2-3-7-14-10-12-16(13-11-14)17-15-8-5-4-6-9-15/h3-13H,2H2,1H3/b7-3+
InChIKeyARYZPDSHGXDJRL-XVNBXDOJSA-N
MW224.30 g/mol
LogP4.90
Rot. Bonds4

About 1-[(E)-but-1-enyl]-4-phenoxybenzene

1-[(E)-but-1-enyl]-4-phenoxybenzene (PubChem CID 58787161) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-4-phenoxybenzene.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-4-phenoxybenzene
PubChem CID58787161
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1-[(E)-but-1-enyl]-4-phenoxybenzene
SMILESCC/C=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C16H16O/c1-2-3-7-14-10-12-16(13-11-14)17-15-8-5-4-6-9-15/h3-13H,2H2,1H3/b7-3+
InChIKeyARYZPDSHGXDJRL-XVNBXDOJSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

but-1-enylbenzene;phenoxybenzene
CID 175609674
benzene;but-1-enylbenzene
CID 157481332
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
4-(4-phenoxyphenyl)but-3-enenitrile
CID 170800627
phenyl 4-[(E)-but-1-enyl]benzoate
CID 19373818
(E,2S,3R)-3-methyl-6-(4-phenoxyphenyl)hex-5-en-2-ol
CID 58883202
ethane;phenoxybenzene;propane
CID 90923491
[(Z)-but-1-enoxy]benzene;ethane
CID 143220778
1-ethyl-4-[4-[(E)-pent-1-enyl]phenoxy]benzene
CID 22991130
1-methoxy-4-(3-phenoxyprop-1-enyl)benzene
CID 67215625
1-ethoxy-4-(2-phenylethenyl)benzene
CID 54277622
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-4-phenoxybenzene?
The IUPAC name of 1-[(E)-but-1-enyl]-4-phenoxybenzene (CID 58787161) is 1-[(E)-but-1-enyl]-4-phenoxybenzene.
What is the SMILES notation for 1-[(E)-but-1-enyl]-4-phenoxybenzene?
The canonical SMILES for 1-[(E)-but-1-enyl]-4-phenoxybenzene is CC/C=C/c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[(E)-but-1-enyl]-4-phenoxybenzene?
The InChIKey is ARYZPDSHGXDJRL-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H16O/c1-2-3-7-14-10-12-16(13-11-14)17-15-8-5-4-6-9-15/h3-13H,2H2,1H3/b7-3+.
What are the key properties of 1-[(E)-but-1-enyl]-4-phenoxybenzene?
1-[(E)-but-1-enyl]-4-phenoxybenzene has a molecular weight of 224.30 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-4-phenoxybenzene is sourced from PubChem (CID 58787161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).