1-benzyl-2-(2-prop-2-enylphenyl)benzene

C22H20 — CID 173274137

IUPAC1-benzyl-2-(2-prop-2-enylphenyl)benzene
SMILESC=CCc1ccccc1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C22H20/c1-2-10-19-13-6-8-15-21(19)22-16-9-7-14-20(22)17-18-11-4-3-5-12-18/h2-9,11-16H,1,10,17H2
InChIKeyGYVSKHAJWINZNE-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.67
Rot. Bonds5

About 1-benzyl-2-(2-prop-2-enylphenyl)benzene

1-benzyl-2-(2-prop-2-enylphenyl)benzene (PubChem CID 173274137) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-benzyl-2-(2-prop-2-enylphenyl)benzene.

Molecular Properties

Compound Name1-benzyl-2-(2-prop-2-enylphenyl)benzene
PubChem CID173274137
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name1-benzyl-2-(2-prop-2-enylphenyl)benzene
SMILESC=CCc1ccccc1-c1ccccc1Cc1ccccc1
InChIInChI=1S/C22H20/c1-2-10-19-13-6-8-15-21(19)22-16-9-7-14-20(22)17-18-11-4-3-5-12-18/h2-9,11-16H,1,10,17H2
InChIKeyGYVSKHAJWINZNE-UHFFFAOYSA-N
XLogP5.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
CID 173365962
prop-2-enylbenzene
CID 159998516
1-phenyl-2-prop-2-enylbenzene;stilbene
CID 173298564
formic acid;1-phenyl-2-prop-2-enylbenzene
CID 174921582
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
CID 173215164
CID 173215164
2-(2-prop-2-enylphenyl)phenol;sulfuric acid
CID 67728772
1,2,3,4,5-pentabenzyl-6-(2-benzylphenyl)benzene
CID 170735831
2-prop-2-enylbenzoic acid
CID 2752991
1-benzyl-2-prop-2-enylnaphthalene
CID 173093978

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-prop-2-enylphenyl)benzene?
The IUPAC name of 1-benzyl-2-(2-prop-2-enylphenyl)benzene (CID 173274137) is 1-benzyl-2-(2-prop-2-enylphenyl)benzene.
What is the SMILES notation for 1-benzyl-2-(2-prop-2-enylphenyl)benzene?
The canonical SMILES for 1-benzyl-2-(2-prop-2-enylphenyl)benzene is C=CCc1ccccc1-c1ccccc1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(2-prop-2-enylphenyl)benzene?
The InChIKey is GYVSKHAJWINZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-2-10-19-13-6-8-15-21(19)22-16-9-7-14-20(22)17-18-11-4-3-5-12-18/h2-9,11-16H,1,10,17H2.
What are the key properties of 1-benzyl-2-(2-prop-2-enylphenyl)benzene?
1-benzyl-2-(2-prop-2-enylphenyl)benzene has a molecular weight of 284.40 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-prop-2-enylphenyl)benzene is sourced from PubChem (CID 173274137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).