5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene

C35H42 — CID 123525703

IUPAC5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
SMILESCCCCc1ccc(-c2cc(C)c(C)c(C)c2)cc1.Cc1ccc(-c2cc(C)c(C)c(C)c2)cc1
InChIInChI=1S/C19H24.C16H18/c1-5-6-7-17-8-10-18(11-9-17)19-12-14(2)16(4)15(3)13-19;1-11-5-7-15(8-6-11)16-9-12(2)14(4)13(3)10-16/h8-13H,5-7H2,1-4H3;5-10H,1-4H3
InChIKeyUSUGPUNVGHXZGH-UHFFFAOYSA-N
MW462.72 g/mol
LogP10.21
Rot. Bonds5

About 5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene

5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene (PubChem CID 123525703) has the molecular formula C35H42 and a molecular weight of 462.72 g/mol. Its IUPAC name is 5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene.

Molecular Properties

Compound Name5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
PubChem CID123525703
Molecular FormulaC35H42
Molecular Weight462.72 g/mol
Exact Mass462.33
IUPAC Name5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene
SMILESCCCCc1ccc(-c2cc(C)c(C)c(C)c2)cc1.Cc1ccc(-c2cc(C)c(C)c(C)c2)cc1
InChIInChI=1S/C19H24.C16H18/c1-5-6-7-17-8-10-18(11-9-17)19-12-14(2)16(4)15(3)13-19;1-11-5-7-15(8-6-11)16-9-12(2)14(4)13(3)10-16/h8-13H,5-7H2,1-4H3;5-10H,1-4H3
InChIKeyUSUGPUNVGHXZGH-UHFFFAOYSA-N
XLogP10.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.72
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488
1-butyl-4-methylbenzene;N-methylmethanamine
CID 143818952
4-butyl-N-(4-butylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 58789445
4-(4-butylphenyl)-2,6-dimethylpyrylium
CID 101036687
1-(4-butylphenyl)-3-(3,5-diphenylphenyl)-5-phenylbenzene
CID 142551744
1-butyl-4-methylbenzene;trifluoroalumane
CID 175081213
1-methyl-4-octylbenzene
CID 11052746
1-methyl-4-(4-propylphenyl)benzene
CID 157416879
1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
CID 143260820
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 173354909
4-butyl-N-[4-[4-[4-(4-butylanilino)phenyl]phenyl]phenyl]aniline
CID 69347655
1-butyl-4-methylbenzene;1-ethyl-4-methylbenzene;1-methyl-4-propylbenzene
CID 159106327

Frequently Asked Questions

What is the IUPAC name of 5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene?
The IUPAC name of 5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene (CID 123525703) is 5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene.
What is the SMILES notation for 5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene?
The canonical SMILES for 5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene is CCCCc1ccc(-c2cc(C)c(C)c(C)c2)cc1.Cc1ccc(-c2cc(C)c(C)c(C)c2)cc1.
What is the InChIKey of 5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene?
The InChIKey is USUGPUNVGHXZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24.C16H18/c1-5-6-7-17-8-10-18(11-9-17)19-12-14(2)16(4)15(3)13-19;1-11-5-7-15(8-6-11)16-9-12(2)14(4)13(3)10-16/h8-13H,5-7H2,1-4H3;5-10H,1-4H3.
What are the key properties of 5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene?
5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene has a molecular weight of 462.72 g/mol, XLogP of 10.21, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-butylphenyl)-1,2,3-trimethylbenzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene is sourced from PubChem (CID 123525703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).