ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene

C28H38 — CID 144519167

IUPACethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene
SMILESCC.CCC(C)C.CCCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20.C5H12.C2H6/c1-2-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-3-5-8-18;1-4-5(2)3;1-2/h3-5,7-16H,2,6H2,1H3;5H,4H2,1-3H3;1-2H3
InChIKeyYFQNXDBMKNDQQB-UHFFFAOYSA-N
MW374.61 g/mol
LogP9.05
Rot. Bonds5

About ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene

ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene (PubChem CID 144519167) has the molecular formula C28H38 and a molecular weight of 374.61 g/mol. Its IUPAC name is ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Nameethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene
PubChem CID144519167
Molecular FormulaC28H38
Molecular Weight374.61 g/mol
Exact Mass374.30
IUPAC Nameethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene
SMILESCC.CCC(C)C.CCCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C21H20.C5H12.C2H6/c1-2-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-3-5-8-18;1-4-5(2)3;1-2/h3-5,7-16H,2,6H2,1H3;5H,4H2,1-3H3;1-2H3
InChIKeyYFQNXDBMKNDQQB-UHFFFAOYSA-N
XLogP9.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.61
LogP ≤ 59.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene 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

magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
1-methyl-4-phenylbenzene;1-phenyl-4-propylbenzene
CID 143481088
CID 175306290
CID 175306290
1-butyl-4-phenylbenzene;ethane
CID 143743409
ethane;methane;2-methylbutane;tris(2-phenylethylbenzene)
CID 159124725
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
ethane;2-methylbutane;9-phenyl-10-(4-phenylphenyl)anthracene
CID 160542444
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
1-pentadecyl-4-phenylbenzene
CID 57166115
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-methyl-4-(4-propylphenyl)benzene
CID 157416879

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene?
The IUPAC name of ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene (CID 144519167) is ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene.
What is the SMILES notation for ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene?
The canonical SMILES for ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene is CC.CCC(C)C.CCCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene?
The InChIKey is YFQNXDBMKNDQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20.C5H12.C2H6/c1-2-6-17-9-11-19(12-10-17)21-15-13-20(14-16-21)18-7-4-3-5-8-18;1-4-5(2)3;1-2/h3-5,7-16H,2,6H2,1H3;5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene?
ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene has a molecular weight of 374.61 g/mol, XLogP of 9.05, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylbutane;1-phenyl-4-(4-propylphenyl)benzene is sourced from PubChem (CID 144519167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).