4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene

C21H24 — CID 144810375

IUPAC4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene
SMILESCCC(C)c1ccccc1C1=C(C)CCc2ccccc21
InChIInChI=1S/C21H24/c1-4-15(2)18-10-7-8-12-20(18)21-16(3)13-14-17-9-5-6-11-19(17)21/h5-12,15H,4,13-14H2,1-3H3
InChIKeyQXIHOPSFWSSRBT-UHFFFAOYSA-N
MW276.42 g/mol
LogP5.97
Rot. Bonds3

About 4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene

4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene (PubChem CID 144810375) has the molecular formula C21H24 and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene
PubChem CID144810375
Molecular FormulaC21H24
Molecular Weight276.42 g/mol
Exact Mass276.19
IUPAC Name4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene
SMILESCCC(C)c1ccccc1C1=C(C)CCc2ccccc21
InChIInChI=1S/C21H24/c1-4-15(2)18-10-7-8-12-20(18)21-16(3)13-14-17-9-5-6-11-19(17)21/h5-12,15H,4,13-14H2,1-3H3
InChIKeyQXIHOPSFWSSRBT-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.42
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene with MolForge

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

Launch Full Analysis

Related Compounds

4-bromo-3-methyl-1,2-dihydronaphthalene
CID 12009186
2-(2-butan-2-ylphenyl)-3-methylnaphthalene
CID 144741250
2-(2-butan-2-ylphenyl)-3-methylpyridine
CID 130282558
9,10-dihydrophenanthrene;ethane
CID 143759681
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
potassium 2-methyl-3,4-dihydronaphthalen-1-olate
CID 23704656
7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
2-(2-butan-2-ylphenyl)-1-methyl-4,5-dihydroimidazole
CID 144582436
5-(2-butan-2-ylphenyl)-1,2-oxazole
CID 143173501
1-butan-2-yl-2-[(2-butan-2-ylphenyl)disulfanyl]benzene
CID 87179249
N-(2-butan-2-ylphenyl)adamantane-1-carboxamide
CID 4795537
2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene
CID 19871018

Frequently Asked Questions

What is the IUPAC name of 4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene?
The IUPAC name of 4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene (CID 144810375) is 4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene.
What is the SMILES notation for 4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene?
The canonical SMILES for 4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene is CCC(C)c1ccccc1C1=C(C)CCc2ccccc21.
What is the InChIKey of 4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene?
The InChIKey is QXIHOPSFWSSRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24/c1-4-15(2)18-10-7-8-12-20(18)21-16(3)13-14-17-9-5-6-11-19(17)21/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of 4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene?
4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene has a molecular weight of 276.42 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene is sourced from PubChem (CID 144810375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).