but-1-enylbenzene;phenoxybenzene

C22H22O — CID 175609674

IUPACbut-1-enylbenzene;phenoxybenzene
SMILESCCC=Cc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C10H12/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-7-10-8-5-4-6-9-10/h1-10H;3-9H,2H2,1H3
InChIKeyNUPRITJVMDTLJL-UHFFFAOYSA-N
MW302.42 g/mol
LogP6.59
Rot. Bonds4

About but-1-enylbenzene;phenoxybenzene

but-1-enylbenzene;phenoxybenzene (PubChem CID 175609674) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is but-1-enylbenzene;phenoxybenzene.

Molecular Properties

Compound Namebut-1-enylbenzene;phenoxybenzene
PubChem CID175609674
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Namebut-1-enylbenzene;phenoxybenzene
SMILESCCC=Cc1ccccc1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C10H12/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-7-10-8-5-4-6-9-10/h1-10H;3-9H,2H2,1H3
InChIKeyNUPRITJVMDTLJL-UHFFFAOYSA-N
XLogP6.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze but-1-enylbenzene;phenoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
benzene;but-1-enylbenzene
CID 157481332
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene
CID 10726289
phenyl 4-[(E)-but-1-enyl]benzoate
CID 19373818
ethane;phenoxybenzene;propane
CID 90923491
acetyloxysilyl acetate;but-1-enylbenzene
CID 174652412
4-(4-phenoxyphenyl)but-3-enenitrile
CID 170800627
[(Z)-but-1-enoxy]benzene;ethane
CID 143220778
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368

Frequently Asked Questions

What is the IUPAC name of but-1-enylbenzene;phenoxybenzene?
The IUPAC name of but-1-enylbenzene;phenoxybenzene (CID 175609674) is but-1-enylbenzene;phenoxybenzene.
What is the SMILES notation for but-1-enylbenzene;phenoxybenzene?
The canonical SMILES for but-1-enylbenzene;phenoxybenzene is CCC=Cc1ccccc1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of but-1-enylbenzene;phenoxybenzene?
The InChIKey is NUPRITJVMDTLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C10H12/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-7-10-8-5-4-6-9-10/h1-10H;3-9H,2H2,1H3.
What are the key properties of but-1-enylbenzene;phenoxybenzene?
but-1-enylbenzene;phenoxybenzene has a molecular weight of 302.42 g/mol, XLogP of 6.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enylbenzene;phenoxybenzene is sourced from PubChem (CID 175609674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).