1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene

C19H22 — CID 144803038

IUPAC1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene
SMILESC=C(c1ccccc1)C(C)(C)Cc1ccccc1C
InChIInChI=1S/C19H22/c1-15-10-8-9-13-18(15)14-19(3,4)16(2)17-11-6-5-7-12-17/h5-13H,2,14H2,1,3-4H3
InChIKeyOEYIWKUOBAAOLY-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.28
Rot. Bonds4

About 1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene

1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene (PubChem CID 144803038) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene
PubChem CID144803038
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene
SMILESC=C(c1ccccc1)C(C)(C)Cc1ccccc1C
InChIInChI=1S/C19H22/c1-15-10-8-9-13-18(15)14-19(3,4)16(2)17-11-6-5-7-12-17/h5-13H,2,14H2,1,3-4H3
InChIKeyOEYIWKUOBAAOLY-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-difluoro-3-(2-methylphenyl)-1-phenylpropan-1-one
CID 132547565
1-(2,2-dimethylpropyl)-2-methylbenzene
CID 21464495
2-methyl-1-(2-methylphenyl)-3-phenylpropan-2-ol
CID 114994895
2,3,3-trimethyl-4-(2-methylphenyl)butan-2-ol
CID 58555255
2-methyl-1-(2-methylphenyl)propane-2-thiol
CID 10583708
2,3-dimethyl-2-[(2-methylphenyl)methyl]butan-1-ol
CID 83151379
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
2-methyl-2-[(2-methylphenyl)methyl]butanoic acid
CID 62740104
1-methyl-2-(3,3,3-trifluoro-2,2-dimethylpropyl)benzene
CID 166564224
1,1,2-tris(2-methylphenyl)ethanol
CID 69269373
4-[3-(3,4-dimethylphenyl)-2,2-dimethylbut-3-enyl]-3-methyl-1-phenylpyrazole
CID 159203396
2-methyl-2-[(2-methylphenyl)methyl]pentanoic acid
CID 62738371

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene?
The IUPAC name of 1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene (CID 144803038) is 1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene.
What is the SMILES notation for 1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene?
The canonical SMILES for 1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene is C=C(c1ccccc1)C(C)(C)Cc1ccccc1C.
What is the InChIKey of 1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene?
The InChIKey is OEYIWKUOBAAOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22/c1-15-10-8-9-13-18(15)14-19(3,4)16(2)17-11-6-5-7-12-17/h5-13H,2,14H2,1,3-4H3.
What are the key properties of 1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene?
1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene has a molecular weight of 250.38 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-phenylbut-3-enyl)-2-methylbenzene is sourced from PubChem (CID 144803038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).