6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene

C21H20 — CID 20726848

IUPAC6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene
SMILESC=CCc1c(-c2ccc(C)cc2)ccc2cc(C)ccc12
InChIInChI=1S/C21H20/c1-4-5-21-19(17-9-6-15(2)7-10-17)13-11-18-14-16(3)8-12-20(18)21/h4,6-14H,1,5H2,2-3H3
InChIKeyJBMYDGCUFKKVBJ-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.85
Rot. Bonds3

About 6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene

6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene (PubChem CID 20726848) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene
PubChem CID20726848
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene
SMILESC=CCc1c(-c2ccc(C)cc2)ccc2cc(C)ccc12
InChIInChI=1S/C21H20/c1-4-5-21-19(17-9-6-15(2)7-10-17)13-11-18-14-16(3)8-12-20(18)21/h4,6-14H,1,5H2,2-3H3
InChIKeyJBMYDGCUFKKVBJ-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene (CID 20726848) is 6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene is C=CCc1c(-c2ccc(C)cc2)ccc2cc(C)ccc12.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene?
The InChIKey is JBMYDGCUFKKVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-4-5-21-19(17-9-6-15(2)7-10-17)13-11-18-14-16(3)8-12-20(18)21/h4,6-14H,1,5H2,2-3H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene?
6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene has a molecular weight of 272.39 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-1-prop-2-enylnaphthalene is sourced from PubChem (CID 20726848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).