1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene

C25H24 — CID 173365962

IUPAC1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
SMILESC=CCc1ccccc1-c1cccc(C)c1-c1ccccc1CC=C
InChIInChI=1S/C25H24/c1-4-11-20-14-6-8-16-22(20)24-18-10-13-19(3)25(24)23-17-9-7-15-21(23)12-5-2/h4-10,13-18H,1-2,11-12H2,3H3
InChIKeyUXNZATFOCGJDGW-UHFFFAOYSA-N
MW324.47 g/mol
LogP6.79
Rot. Bonds6

About 1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene

1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene (PubChem CID 173365962) has the molecular formula C25H24 and a molecular weight of 324.47 g/mol. Its IUPAC name is 1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene.

Molecular Properties

Compound Name1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
PubChem CID173365962
Molecular FormulaC25H24
Molecular Weight324.47 g/mol
Exact Mass324.19
IUPAC Name1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene
SMILESC=CCc1ccccc1-c1cccc(C)c1-c1ccccc1CC=C
InChIInChI=1S/C25H24/c1-4-11-20-14-6-8-16-22(20)24-18-10-13-19(3)25(24)23-17-9-7-15-21(23)12-5-2/h4-10,13-18H,1-2,11-12H2,3H3
InChIKeyUXNZATFOCGJDGW-UHFFFAOYSA-N
XLogP6.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.47
LogP ≤ 56.79
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-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
2-[2-(2,6-dimethylphenyl)phenyl]acetaldehyde
CID 87769884
1-methyl-2,3-bis(2-propylphenyl)benzene
CID 123997531
1-benzyl-2-(2-prop-2-enylphenyl)benzene
CID 173274137
3-methyl-4-(2-prop-2-enylphenyl)pyridine
CID 66828057
1,2-dimethyl-3-prop-2-enylbenzene;hydrochloride
CID 175387525
2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
2-(2-prop-2-enylphenyl)naphthalen-1-amine
CID 70019224
anthracene-9,10-dione;1-prop-2-enylanthracene-9,10-dione
CID 174357555
2-butyl-1-methyl-3-prop-2-enylbenzene
CID 173148760
bis(cyclopenta-1,3-diene);bis(2-methyl-6-prop-2-enylphenol);zirconium(2+)
CID 141004924

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene?
The IUPAC name of 1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene (CID 173365962) is 1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene.
What is the SMILES notation for 1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene?
The canonical SMILES for 1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene is C=CCc1ccccc1-c1cccc(C)c1-c1ccccc1CC=C.
What is the InChIKey of 1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene?
The InChIKey is UXNZATFOCGJDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24/c1-4-11-20-14-6-8-16-22(20)24-18-10-13-19(3)25(24)23-17-9-7-15-21(23)12-5-2/h4-10,13-18H,1-2,11-12H2,3H3.
What are the key properties of 1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene?
1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene has a molecular weight of 324.47 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-bis(2-prop-2-enylphenyl)benzene is sourced from PubChem (CID 173365962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).