(3-benzyl-2-methylidenebut-3-enyl)benzene

C18H18 — CID 3533591

IUPAC(3-benzyl-2-methylidenebut-3-enyl)benzene
SMILESC=C(Cc1ccccc1)C(=C)Cc1ccccc1
InChIInChI=1S/C18H18/c1-15(13-17-9-5-3-6-10-17)16(2)14-18-11-7-4-8-12-18/h3-12H,1-2,13-14H2
InChIKeyFNCJMHZWHWRYEO-UHFFFAOYSA-N
MW234.34 g/mol
LogP4.58
Rot. Bonds5

About (3-benzyl-2-methylidenebut-3-enyl)benzene

(3-benzyl-2-methylidenebut-3-enyl)benzene (PubChem CID 3533591) has the molecular formula C18H18 and a molecular weight of 234.34 g/mol. Its IUPAC name is (3-benzyl-2-methylidenebut-3-enyl)benzene.

Molecular Properties

Compound Name(3-benzyl-2-methylidenebut-3-enyl)benzene
PubChem CID3533591
Molecular FormulaC18H18
Molecular Weight234.34 g/mol
Exact Mass234.14
IUPAC Name(3-benzyl-2-methylidenebut-3-enyl)benzene
SMILESC=C(Cc1ccccc1)C(=C)Cc1ccccc1
InChIInChI=1S/C18H18/c1-15(13-17-9-5-3-6-10-17)16(2)14-18-11-7-4-8-12-18/h3-12H,1-2,13-14H2
InChIKeyFNCJMHZWHWRYEO-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Biphenyl
CID 7095
Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
Tetralin
CID 8404
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Tert-Butylbenzene
CID 7366

Frequently Asked Questions

What is the IUPAC name of (3-benzyl-2-methylidenebut-3-enyl)benzene?
The IUPAC name of (3-benzyl-2-methylidenebut-3-enyl)benzene (CID 3533591) is (3-benzyl-2-methylidenebut-3-enyl)benzene.
What is the SMILES notation for (3-benzyl-2-methylidenebut-3-enyl)benzene?
The canonical SMILES for (3-benzyl-2-methylidenebut-3-enyl)benzene is C=C(Cc1ccccc1)C(=C)Cc1ccccc1.
What is the InChIKey of (3-benzyl-2-methylidenebut-3-enyl)benzene?
The InChIKey is FNCJMHZWHWRYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18/c1-15(13-17-9-5-3-6-10-17)16(2)14-18-11-7-4-8-12-18/h3-12H,1-2,13-14H2.
What are the key properties of (3-benzyl-2-methylidenebut-3-enyl)benzene?
(3-benzyl-2-methylidenebut-3-enyl)benzene has a molecular weight of 234.34 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzyl-2-methylidenebut-3-enyl)benzene is sourced from PubChem (CID 3533591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).