but-1-en-2-ylbenzene;prop-1-enylbenzene

C19H22 — CID 173014652

IUPACbut-1-en-2-ylbenzene;prop-1-enylbenzene
SMILESC=C(CC)c1ccccc1.CC=Cc1ccccc1
InChIInChI=1S/C10H12.C9H10/c1-3-9(2)10-7-5-4-6-8-10;1-2-6-9-7-4-3-5-8-9/h4-8H,2-3H2,1H3;2-8H,1H3
InChIKeyZZGMDAJVIAUAPO-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.83
Rot. Bonds3

About but-1-en-2-ylbenzene;prop-1-enylbenzene

but-1-en-2-ylbenzene;prop-1-enylbenzene (PubChem CID 173014652) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is but-1-en-2-ylbenzene;prop-1-enylbenzene.

Molecular Properties

Compound Namebut-1-en-2-ylbenzene;prop-1-enylbenzene
PubChem CID173014652
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Namebut-1-en-2-ylbenzene;prop-1-enylbenzene
SMILESC=C(CC)c1ccccc1.CC=Cc1ccccc1
InChIInChI=1S/C10H12.C9H10/c1-3-9(2)10-7-5-4-6-8-10;1-2-6-9-7-4-3-5-8-9/h4-8H,2-3H2,1H3;2-8H,1H3
InChIKeyZZGMDAJVIAUAPO-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylprop-1-ene;prop-1-enylbenzene
CID 159398711
1-but-1-en-2-yl-2-prop-1-enylbenzene
CID 123904805
ethane;[(Z)-prop-1-enyl]benzene
CID 90831801
CID 157355117
CID 157355117
but-1-en-2-ylbenzene;prop-2-enenitrile
CID 160693211
buta-1,3-diene;bis(prop-1-enylbenzene)
CID 172716960
benzylbenzene;1-[(Z)-prop-1-enyl]-3-prop-1-en-2-ylbenzene
CID 142453326
prop-1-enylbenzene;thiourea
CID 172856640
2-methylideneheptanoic acid;prop-1-enylbenzene
CID 70583172
propane-1,2-diol;prop-1-enylbenzene
CID 161072622
3-methylidenehepta-1,5-dienylbenzene
CID 90998971
1,3-bis(but-1-en-2-yl)benzene
CID 19692093

Frequently Asked Questions

What is the IUPAC name of but-1-en-2-ylbenzene;prop-1-enylbenzene?
The IUPAC name of but-1-en-2-ylbenzene;prop-1-enylbenzene (CID 173014652) is but-1-en-2-ylbenzene;prop-1-enylbenzene.
What is the SMILES notation for but-1-en-2-ylbenzene;prop-1-enylbenzene?
The canonical SMILES for but-1-en-2-ylbenzene;prop-1-enylbenzene is C=C(CC)c1ccccc1.CC=Cc1ccccc1.
What is the InChIKey of but-1-en-2-ylbenzene;prop-1-enylbenzene?
The InChIKey is ZZGMDAJVIAUAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12.C9H10/c1-3-9(2)10-7-5-4-6-8-10;1-2-6-9-7-4-3-5-8-9/h4-8H,2-3H2,1H3;2-8H,1H3.
What are the key properties of but-1-en-2-ylbenzene;prop-1-enylbenzene?
but-1-en-2-ylbenzene;prop-1-enylbenzene has a molecular weight of 250.38 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-ylbenzene;prop-1-enylbenzene is sourced from PubChem (CID 173014652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).