1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene

C30H42 — CID 159106327

IUPAC1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
SMILESCCCCc1ccc(C)cc1.CCCc1ccc(C)cc1.CCc1ccc(C)cc1
InChIInChI=1S/C11H16.C10H14.C9H12/c1-3-4-5-11-8-6-10(2)7-9-11;1-3-4-10-7-5-9(2)6-8-10;1-3-9-6-4-8(2)5-7-9/h6-9H,3-5H2,1-2H3;5-8H,3-4H2,1-2H3;4-7H,3H2,1-2H3
InChIKeyKDXWYMJJXWHNIE-UHFFFAOYSA-N
MW402.67 g/mol
LogP8.84
Rot. Bonds6

About 1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene

1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene (PubChem CID 159106327) has the molecular formula C30H42 and a molecular weight of 402.67 g/mol. Its IUPAC name is 1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene.

Molecular Properties

Compound Name1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
PubChem CID159106327
Molecular FormulaC30H42
Molecular Weight402.67 g/mol
Exact Mass402.33
IUPAC Name1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
SMILESCCCCc1ccc(C)cc1.CCCc1ccc(C)cc1.CCc1ccc(C)cc1
InChIInChI=1S/C11H16.C10H14.C9H12/c1-3-4-5-11-8-6-10(2)7-9-11;1-3-4-10-7-5-9(2)6-8-10;1-3-9-6-4-8(2)5-7-9/h6-9H,3-5H2,1-2H3;5-8H,3-4H2,1-2H3;4-7H,3H2,1-2H3
InChIKeyKDXWYMJJXWHNIE-UHFFFAOYSA-N
XLogP8.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.67
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-diethylbenzene;bis(1-ethyl-4-methylbenzene);1-ethyl-4-propylbenzene;bis(1-methyl-4-pentylbenzene);1,4-xylene
CID 165022765
cyclopropane;1-ethyl-4-methylbenzene;1-methyl-4-pentylbenzene
CID 161488125
4-N-(4-butylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(4-propylphenyl)benzene-1,4-diamine
CID 163431487
1-butyl-4-(4-ethylphenyl)benzene;ethane
CID 145367281
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213
1-methyl-4-octylbenzene
CID 11052746
1-methyl-4-propylbenzene;molecular fluorine
CID 167533310
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1,4-bis(4-butylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-1-(4-ethylphenyl)-2-fluorobenzene;4-(4-butylphenyl)-2-fluoro-1-(4-methylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-butylphenyl)-2-fluoro-4-(4-propylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-propylphenyl)benzene;2-fluoro-1-(4-methylphenyl)-4-(4-pentylphenyl)benzene;2-fluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
CID 159443405
1-ethyl-4-octacosylbenzene
CID 175218304

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene?
The IUPAC name of 1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene (CID 159106327) is 1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene.
What is the SMILES notation for 1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene?
The canonical SMILES for 1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene is CCCCc1ccc(C)cc1.CCCc1ccc(C)cc1.CCc1ccc(C)cc1.
What is the InChIKey of 1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene?
The InChIKey is KDXWYMJJXWHNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16.C10H14.C9H12/c1-3-4-5-11-8-6-10(2)7-9-11;1-3-4-10-7-5-9(2)6-8-10;1-3-9-6-4-8(2)5-7-9/h6-9H,3-5H2,1-2H3;5-8H,3-4H2,1-2H3;4-7H,3H2,1-2H3.
What are the key properties of 1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene?
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene has a molecular weight of 402.67 g/mol, XLogP of 8.84, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene is sourced from PubChem (CID 159106327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).