1-butyl-4-(4-ethylphenyl)benzene;ethane

C20H28 — CID 145367281

IUPAC1-butyl-4-(4-ethylphenyl)benzene;ethane
SMILESCC.CCCCc1ccc(-c2ccc(CC)cc2)cc1
InChIInChI=1S/C18H22.C2H6/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17;1-2/h7-14H,3-6H2,1-2H3;1-2H3
InChIKeyIDCPVQJDKRHXKB-UHFFFAOYSA-N
MW268.44 g/mol
LogP6.28
Rot. Bonds5

About 1-butyl-4-(4-ethylphenyl)benzene;ethane

1-butyl-4-(4-ethylphenyl)benzene;ethane (PubChem CID 145367281) has the molecular formula C20H28 and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-butyl-4-(4-ethylphenyl)benzene;ethane.

Molecular Properties

Compound Name1-butyl-4-(4-ethylphenyl)benzene;ethane
PubChem CID145367281
Molecular FormulaC20H28
Molecular Weight268.44 g/mol
Exact Mass268.22
IUPAC Name1-butyl-4-(4-ethylphenyl)benzene;ethane
SMILESCC.CCCCc1ccc(-c2ccc(CC)cc2)cc1
InChIInChI=1S/C18H22.C2H6/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17;1-2/h7-14H,3-6H2,1-2H3;1-2H3
InChIKeyIDCPVQJDKRHXKB-UHFFFAOYSA-N
XLogP6.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.44
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1-butyl-4-phenylbenzene;ethane
CID 143743409
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-(4-chlorophenyl)benzene
CID 71329795
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
1,4-bis[(4-butylphenyl)methyl]benzene;ethane
CID 91530011
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
5-[4-[4-(4-butylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;5-[4-[4-(4-ethylphenyl)phenyl]phenyl]-1,2,3-trifluorobenzene;1,2,3-trifluoro-5-[4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;1,2,3-trifluoro-5-[4-[4-(4-propylphenyl)phenyl]phenyl]benzene
CID 157287017

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(4-ethylphenyl)benzene;ethane?
The IUPAC name of 1-butyl-4-(4-ethylphenyl)benzene;ethane (CID 145367281) is 1-butyl-4-(4-ethylphenyl)benzene;ethane.
What is the SMILES notation for 1-butyl-4-(4-ethylphenyl)benzene;ethane?
The canonical SMILES for 1-butyl-4-(4-ethylphenyl)benzene;ethane is CC.CCCCc1ccc(-c2ccc(CC)cc2)cc1.
What is the InChIKey of 1-butyl-4-(4-ethylphenyl)benzene;ethane?
The InChIKey is IDCPVQJDKRHXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22.C2H6/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17;1-2/h7-14H,3-6H2,1-2H3;1-2H3.
What are the key properties of 1-butyl-4-(4-ethylphenyl)benzene;ethane?
1-butyl-4-(4-ethylphenyl)benzene;ethane has a molecular weight of 268.44 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(4-ethylphenyl)benzene;ethane is sourced from PubChem (CID 145367281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).