1,2-bis(prop-1-en-2-yl)benzene;toluene

C19H22 — CID 173384676

IUPAC1,2-bis(prop-1-en-2-yl)benzene;toluene
SMILESC=C(C)c1ccccc1C(=C)C.Cc1ccccc1
InChIInChI=1S/C12H14.C7H8/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-7-5-3-2-4-6-7/h5-8H,1,3H2,2,4H3;2-6H,1H3
InChIKeyVECZFKYFYMLJKQ-UHFFFAOYSA-N
MW250.38 g/mol
LogP5.75
Rot. Bonds2

About 1,2-bis(prop-1-en-2-yl)benzene;toluene

1,2-bis(prop-1-en-2-yl)benzene;toluene (PubChem CID 173384676) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1,2-bis(prop-1-en-2-yl)benzene;toluene.

Molecular Properties

Compound Name1,2-bis(prop-1-en-2-yl)benzene;toluene
PubChem CID173384676
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Name1,2-bis(prop-1-en-2-yl)benzene;toluene
SMILESC=C(C)c1ccccc1C(=C)C.Cc1ccccc1
InChIInChI=1S/C12H14.C7H8/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-7-5-3-2-4-6-7/h5-8H,1,3H2,2,4H3;2-6H,1H3
InChIKeyVECZFKYFYMLJKQ-UHFFFAOYSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.38
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2-bis(prop-1-en-2-yl)benzene;toluene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-1-en-2-yl)benzene;toluene?
The IUPAC name of 1,2-bis(prop-1-en-2-yl)benzene;toluene (CID 173384676) is 1,2-bis(prop-1-en-2-yl)benzene;toluene.
What is the SMILES notation for 1,2-bis(prop-1-en-2-yl)benzene;toluene?
The canonical SMILES for 1,2-bis(prop-1-en-2-yl)benzene;toluene is C=C(C)c1ccccc1C(=C)C.Cc1ccccc1.
What is the InChIKey of 1,2-bis(prop-1-en-2-yl)benzene;toluene?
The InChIKey is VECZFKYFYMLJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14.C7H8/c1-9(2)11-7-5-6-8-12(11)10(3)4;1-7-5-3-2-4-6-7/h5-8H,1,3H2,2,4H3;2-6H,1H3.
What are the key properties of 1,2-bis(prop-1-en-2-yl)benzene;toluene?
1,2-bis(prop-1-en-2-yl)benzene;toluene has a molecular weight of 250.38 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-1-en-2-yl)benzene;toluene is sourced from PubChem (CID 173384676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).