1-ethyl-3-methyl-2-(2-phenylphenyl)benzene

C21H20 — CID 175280836

IUPAC1-ethyl-3-methyl-2-(2-phenylphenyl)benzene
SMILESCCc1cccc(C)c1-c1ccccc1-c1ccccc1
InChIInChI=1S/C21H20/c1-3-17-13-9-10-16(2)21(17)20-15-8-7-14-19(20)18-11-5-4-6-12-18/h4-15H,3H2,1-2H3
InChIKeyZDZFLDZVQQNSRG-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.89
Rot. Bonds3

About 1-ethyl-3-methyl-2-(2-phenylphenyl)benzene

1-ethyl-3-methyl-2-(2-phenylphenyl)benzene (PubChem CID 175280836) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-ethyl-3-methyl-2-(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1-ethyl-3-methyl-2-(2-phenylphenyl)benzene
PubChem CID175280836
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1-ethyl-3-methyl-2-(2-phenylphenyl)benzene
SMILESCCc1cccc(C)c1-c1ccccc1-c1ccccc1
InChIInChI=1S/C21H20/c1-3-17-13-9-10-16(2)21(17)20-15-8-7-14-19(20)18-11-5-4-6-12-18/h4-15H,3H2,1-2H3
InChIKeyZDZFLDZVQQNSRG-UHFFFAOYSA-N
XLogP5.89
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 ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4,8-diphenylazulene
CID 86056773
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
1-(2,3-diethylphenyl)-3,4-diphenyl-2-(2-phenylphenyl)benzene
CID 54234725
2-bromo-1-ethyl-3-phenylbenzene
CID 174683375
carbonic acid;1-ethyl-2-(2-phenylphenyl)benzene
CID 67179432
benzene;1,2-diethylbenzene;1,2-xylene
CID 174742983
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
1,2-diethyl-3-phenylbenzene;formamide
CID 90113659
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-2-(2-phenylphenyl)benzene?
The IUPAC name of 1-ethyl-3-methyl-2-(2-phenylphenyl)benzene (CID 175280836) is 1-ethyl-3-methyl-2-(2-phenylphenyl)benzene.
What is the SMILES notation for 1-ethyl-3-methyl-2-(2-phenylphenyl)benzene?
The canonical SMILES for 1-ethyl-3-methyl-2-(2-phenylphenyl)benzene is CCc1cccc(C)c1-c1ccccc1-c1ccccc1.
What is the InChIKey of 1-ethyl-3-methyl-2-(2-phenylphenyl)benzene?
The InChIKey is ZDZFLDZVQQNSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-3-17-13-9-10-16(2)21(17)20-15-8-7-14-19(20)18-11-5-4-6-12-18/h4-15H,3H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-2-(2-phenylphenyl)benzene?
1-ethyl-3-methyl-2-(2-phenylphenyl)benzene has a molecular weight of 272.39 g/mol, XLogP of 5.89, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-2-(2-phenylphenyl)benzene is sourced from PubChem (CID 175280836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).