benzene;but-1-enylbenzene

C16H18 — CID 157481332

IUPACbenzene;but-1-enylbenzene
SMILESCCC=Cc1ccccc1.c1ccccc1
InChIInChI=1S/C10H12.C6H6/c1-2-3-7-10-8-5-4-6-9-10;1-2-4-6-5-3-1/h3-9H,2H2,1H3;1-6H
InChIKeyBWETWDDPZBFQBL-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.80
Rot. Bonds2

About benzene;but-1-enylbenzene

benzene;but-1-enylbenzene (PubChem CID 157481332) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is benzene;but-1-enylbenzene.

Molecular Properties

Compound Namebenzene;but-1-enylbenzene
PubChem CID157481332
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Namebenzene;but-1-enylbenzene
SMILESCCC=Cc1ccccc1.c1ccccc1
InChIInChI=1S/C10H12.C6H6/c1-2-3-7-10-8-5-4-6-9-10;1-2-4-6-5-3-1/h3-9H,2H2,1H3;1-6H
InChIKeyBWETWDDPZBFQBL-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze benzene;but-1-enylbenzene 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

but-1-enylbenzene;phenoxybenzene
CID 175609674
[(1E,4Z,6Z)-nona-1,4,6-trienyl]benzene
CID 142095527
1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
[(1E)-5-phenylpenta-1,4-dienyl]benzene
CID 91021368
but-1-enylbenzene;but-3-enylbenzene
CID 161099431
[(E)-3-[(E)-but-1-enoxy]prop-1-enyl]benzene
CID 10726289
acetyloxysilyl acetate;but-1-enylbenzene
CID 174652412
ethane;[(E)-pent-1-enyl]benzene
CID 143265687
but-1-enylbenzene;3-phenylbenzene-1,2-diol
CID 174676185
1,2-bis(but-1-enyl)benzene
CID 140975855
[(1E,4E)-hexa-1,4-dienyl]benzene
CID 13068859
CID 140512150
CID 140512150

Frequently Asked Questions

What is the IUPAC name of benzene;but-1-enylbenzene?
The IUPAC name of benzene;but-1-enylbenzene (CID 157481332) is benzene;but-1-enylbenzene.
What is the SMILES notation for benzene;but-1-enylbenzene?
The canonical SMILES for benzene;but-1-enylbenzene is CCC=Cc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;but-1-enylbenzene?
The InChIKey is BWETWDDPZBFQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C6H6/c1-2-3-7-10-8-5-4-6-9-10;1-2-4-6-5-3-1/h3-9H,2H2,1H3;1-6H.
What are the key properties of benzene;but-1-enylbenzene?
benzene;but-1-enylbenzene has a molecular weight of 210.32 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;but-1-enylbenzene is sourced from PubChem (CID 157481332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).