2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene

C17H18 — CID 146002696

IUPAC2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene
SMILESC=C(C)Cc1ccc(-c2ccccc2)c(C)c1
InChIInChI=1S/C17H18/c1-13(2)11-15-9-10-17(14(3)12-15)16-7-5-4-6-8-16/h4-10,12H,1,11H2,2-3H3
InChIKeyVGIWARXQMOAWET-UHFFFAOYSA-N
MW222.33 g/mol
LogP4.78
Rot. Bonds3

About 2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene

2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene (PubChem CID 146002696) has the molecular formula C17H18 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene.

Molecular Properties

Compound Name2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene
PubChem CID146002696
Molecular FormulaC17H18
Molecular Weight222.33 g/mol
Exact Mass222.14
IUPAC Name2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene
SMILESC=C(C)Cc1ccc(-c2ccccc2)c(C)c1
InChIInChI=1S/C17H18/c1-13(2)11-15-9-10-17(14(3)12-15)16-7-5-4-6-8-16/h4-10,12H,1,11H2,2-3H3
InChIKeyVGIWARXQMOAWET-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 54.78
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

2-(3-methyl-4-phenylphenyl)acetic acid
CID 18793942
N-[[5-(2-methylprop-2-enyl)-2-phenylphenyl]methyl]benzamide
CID 141050503
2-(2-methylprop-2-enyl)naphthalene
CID 24722193
2-methyl-1-phenyl-4-(2-phenylphenyl)benzene
CID 59171665
2,4-bis(2-methylprop-2-enyl)phenol
CID 139609254
2-(2-methylprop-2-enyl)-6-[3-(2-methylprop-2-enyl)phenyl]phenol
CID 70366879
3-(4-methyl-3-phenylphenyl)propan-1-ol
CID 117325760
sodium;hydride;1-hydroxy-3-(3-methyl-4-phenylphenyl)propane-1-sulfonic acid
CID 173200450
2,3-bis[(4-hydroxy-3-methylphenyl)methyl]-4-phenylphenol
CID 70170016
4-[5-(4-hydroxy-3-methyl-5-phenylphenyl)pentyl]-2-methyl-6-phenylphenol
CID 19003377
4-(chloromethyl)-2-methyl-1-(2-methylprop-2-enyl)benzene
CID 143343154
[3-methyl-4-(4-pentylphenyl)phenyl]methanol
CID 134271046

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene?
The IUPAC name of 2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene (CID 146002696) is 2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene.
What is the SMILES notation for 2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene?
The canonical SMILES for 2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene is C=C(C)Cc1ccc(-c2ccccc2)c(C)c1.
What is the InChIKey of 2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene?
The InChIKey is VGIWARXQMOAWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18/c1-13(2)11-15-9-10-17(14(3)12-15)16-7-5-4-6-8-16/h4-10,12H,1,11H2,2-3H3.
What are the key properties of 2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene?
2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene has a molecular weight of 222.33 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylprop-2-enyl)-1-phenylbenzene is sourced from PubChem (CID 146002696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).