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

Naphthalene
CID 931
Biphenyl
CID 7095
O-Xylene
CID 7237
1-Methylnaphthalene
CID 7002
Tetralin
CID 8404
Pentylbenzene
CID 10864
Tert-Butylbenzene
CID 7366
1,2,3-Trimethylbenzene
CID 10686
4-tert-Butyltoluene
CID 7390
4-Methylbiphenyl
CID 12566
O-Cymene
CID 10703
1,2-Diethylbenzene
CID 8657

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).