1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene

C27H28 — CID 143438596

IUPAC1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene
SMILESCCc1ccc(C)cc1-c1ccccc1C.Cc1ccc2ccccc2c1
InChIInChI=1S/C16H18.C11H10/c1-4-14-10-9-12(2)11-16(14)15-8-6-5-7-13(15)3;1-9-6-7-10-4-2-3-5-11(10)8-9/h5-11H,4H2,1-3H3;2-8H,1H3
InChIKeyANSYFLNHNPLGAP-UHFFFAOYSA-N
MW352.52 g/mol
LogP7.68
Rot. Bonds2

About 1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene

1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene (PubChem CID 143438596) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene.

Molecular Properties

Compound Name1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene
PubChem CID143438596
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene
SMILESCCc1ccc(C)cc1-c1ccccc1C.Cc1ccc2ccccc2c1
InChIInChI=1S/C16H18.C11H10/c1-4-14-10-9-12(2)11-16(14)15-8-6-5-7-13(15)3;1-9-6-7-10-4-2-3-5-11(10)8-9/h5-11H,4H2,1-3H3;2-8H,1H3
InChIKeyANSYFLNHNPLGAP-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-dimethyl-2-(2-methylphenyl)benzene;methane;2-methylnaphthalene
CID 143438669
2-ethyl-3-(2-methylphenyl)naphthalene
CID 148544062
2-methylnaphthalene;1,2-xylene
CID 142041411
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
butane;1,4-dimethyl-2-(2-methylphenyl)benzene
CID 142975298
2-methylnaphthalene chloride
CID 21193556
2-methylnaphthalene;dihydrate
CID 174912803
benzene;2-methylnaphthalene
CID 159438891
2-(2,5-dimethylphenyl)naphthalene
CID 59648717
lithium;hydride;2-methylnaphthalene
CID 175090071
2-(5-bromo-2-ethylphenyl)-1,4-dimethylbenzene
CID 58251606
butane;2-methylanthracene
CID 90696557

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene?
The IUPAC name of 1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene (CID 143438596) is 1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene.
What is the SMILES notation for 1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene?
The canonical SMILES for 1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene is CCc1ccc(C)cc1-c1ccccc1C.Cc1ccc2ccccc2c1.
What is the InChIKey of 1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene?
The InChIKey is ANSYFLNHNPLGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C11H10/c1-4-14-10-9-12(2)11-16(14)15-8-6-5-7-13(15)3;1-9-6-7-10-4-2-3-5-11(10)8-9/h5-11H,4H2,1-3H3;2-8H,1H3.
What are the key properties of 1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene?
1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene has a molecular weight of 352.52 g/mol, XLogP of 7.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methyl-2-(2-methylphenyl)benzene;2-methylnaphthalene is sourced from PubChem (CID 143438596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).