2-(2-butan-2-ylphenyl)-3-methylnaphthalene

C21H22 — CID 144741250

IUPAC2-(2-butan-2-ylphenyl)-3-methylnaphthalene
SMILESCCC(C)c1ccccc1-c1cc2ccccc2cc1C
InChIInChI=1S/C21H22/c1-4-15(2)19-11-7-8-12-20(19)21-14-18-10-6-5-9-17(18)13-16(21)3/h5-15H,4H2,1-3H3
InChIKeyOTANUXNXGSDGPH-UHFFFAOYSA-N
MW274.41 g/mol
LogP6.33
Rot. Bonds3

About 2-(2-butan-2-ylphenyl)-3-methylnaphthalene

2-(2-butan-2-ylphenyl)-3-methylnaphthalene (PubChem CID 144741250) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenyl)-3-methylnaphthalene.

Molecular Properties

Compound Name2-(2-butan-2-ylphenyl)-3-methylnaphthalene
PubChem CID144741250
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name2-(2-butan-2-ylphenyl)-3-methylnaphthalene
SMILESCCC(C)c1ccccc1-c1cc2ccccc2cc1C
InChIInChI=1S/C21H22/c1-4-15(2)19-11-7-8-12-20(19)21-14-18-10-6-5-9-17(18)13-16(21)3/h5-15H,4H2,1-3H3
InChIKeyOTANUXNXGSDGPH-UHFFFAOYSA-N
XLogP6.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.41
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[4-[4-butan-2-yl-3-(3-methylnaphthalen-2-yl)phenyl]phenyl]-N-phenylaniline
CID 144920181
2-(2-butan-2-ylphenyl)-1-[2-(2-butan-2-ylphenyl)naphthalen-1-yl]oxynaphthalene
CID 19871018
2-(2-butan-2-ylphenyl)-3-methylpyridine
CID 130282558
1-methyl-2-(2-pentan-2-ylphenyl)benzene
CID 156706346
2-(2-butan-2-ylphenyl)naphthalene;5-methyl-6-(2-methylphenyl)benzo[c]phenanthrene
CID 144754286
6-(2-butan-2-ylphenyl)-5,9,14,14-tetramethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 145449652
6-butan-2-yl-2,3-dimethyl-1-(3-methylnaphthalen-2-yl)isoquinolin-2-ium
CID 157401482
1-butan-2-yl-2-(2-methylphenyl)-4-(3-methylphenyl)benzene
CID 145018366
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene
CID 144810375
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene
CID 19927018

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenyl)-3-methylnaphthalene?
The IUPAC name of 2-(2-butan-2-ylphenyl)-3-methylnaphthalene (CID 144741250) is 2-(2-butan-2-ylphenyl)-3-methylnaphthalene.
What is the SMILES notation for 2-(2-butan-2-ylphenyl)-3-methylnaphthalene?
The canonical SMILES for 2-(2-butan-2-ylphenyl)-3-methylnaphthalene is CCC(C)c1ccccc1-c1cc2ccccc2cc1C.
What is the InChIKey of 2-(2-butan-2-ylphenyl)-3-methylnaphthalene?
The InChIKey is OTANUXNXGSDGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22/c1-4-15(2)19-11-7-8-12-20(19)21-14-18-10-6-5-9-17(18)13-16(21)3/h5-15H,4H2,1-3H3.
What are the key properties of 2-(2-butan-2-ylphenyl)-3-methylnaphthalene?
2-(2-butan-2-ylphenyl)-3-methylnaphthalene has a molecular weight of 274.41 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenyl)-3-methylnaphthalene is sourced from PubChem (CID 144741250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).