1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene

C22H22 — CID 144609212

IUPAC1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene
SMILESC/C(=C(/C)c1ccc2ccccc2c1C)c1ccccc1C
InChIInChI=1S/C22H22/c1-15-9-5-7-11-20(15)16(2)17(3)21-14-13-19-10-6-8-12-22(19)18(21)4/h5-14H,1-4H3/b17-16+
InChIKeyMKLGXSBWINIXIH-WUKNDPDISA-N
MW286.42 g/mol
LogP6.41
Rot. Bonds2

About 1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene

1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene (PubChem CID 144609212) has the molecular formula C22H22 and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene.

Molecular Properties

Compound Name1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene
PubChem CID144609212
Molecular FormulaC22H22
Molecular Weight286.42 g/mol
Exact Mass286.17
IUPAC Name1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene
SMILESC/C(=C(/C)c1ccc2ccccc2c1C)c1ccccc1C
InChIInChI=1S/C22H22/c1-15-9-5-7-11-20(15)16(2)17(3)21-14-13-19-10-6-8-12-22(19)18(21)4/h5-14H,1-4H3/b17-16+
InChIKeyMKLGXSBWINIXIH-WUKNDPDISA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.42
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]-1H-indole
CID 156514569
methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
1,2-dimethylnaphthalene;ethane
CID 90922397
1,2-dimethylnaphthalene;hydrobromide
CID 174429192
1-(3-methoxybut-2-en-2-yl)-2-methylbenzene
CID 172691256
(1-methylnaphthalen-2-yl)methanol
CID 15054223
1,2-dimethylnaphthalene;ethane;propane
CID 90958253
(1-ethylselanylnaphthalen-2-yl)-(2-methylphenyl)methanone
CID 138970146
1-methyl-4-(3-methylbut-2-en-2-yl)naphthalene
CID 58760824
1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;1,2-xylene
CID 161084125
1-methyl-2-(2-methylhept-2-en-3-yl)benzene
CID 142356923
1,2-dimethylnaphthalene;2,3-dimethylnaphthalene;ethane;methane;1,2-xylene
CID 158113046

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene?
The IUPAC name of 1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene (CID 144609212) is 1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene.
What is the SMILES notation for 1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene?
The canonical SMILES for 1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene is C/C(=C(/C)c1ccc2ccccc2c1C)c1ccccc1C.
What is the InChIKey of 1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene?
The InChIKey is MKLGXSBWINIXIH-WUKNDPDISA-N. The full InChI is InChI=1S/C22H22/c1-15-9-5-7-11-20(15)16(2)17(3)21-14-13-19-10-6-8-12-22(19)18(21)4/h5-14H,1-4H3/b17-16+.
What are the key properties of 1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene?
1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene has a molecular weight of 286.42 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(E)-3-(2-methylphenyl)but-2-en-2-yl]naphthalene is sourced from PubChem (CID 144609212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).