1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene

C18H25Br — CID 159079937

IUPAC1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
SMILESC.Cc1cc(C)cc(Br)c1.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.C8H9Br.CH4/c1-7-4-8(2)6-9(3)5-7;1-6-3-7(2)5-8(9)4-6;/h4-6H,1-3H3;3-5H,1-2H3;1H4
InChIKeyKASNIFYFHVPDGA-UHFFFAOYSA-N
MW321.30 g/mol
LogP6.31
Rot. Bonds

About 1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene

1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene (PubChem CID 159079937) has the molecular formula C18H25Br and a molecular weight of 321.30 g/mol. Its IUPAC name is 1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene.

Molecular Properties

Compound Name1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
PubChem CID159079937
Molecular FormulaC18H25Br
Molecular Weight321.30 g/mol
Exact Mass320.11
IUPAC Name1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
SMILESC.Cc1cc(C)cc(Br)c1.Cc1cc(C)cc(C)c1
InChIInChI=1S/C9H12.C8H9Br.CH4/c1-7-4-8(2)6-9(3)5-7;1-6-3-7(2)5-8(9)4-6;/h4-6H,1-3H3;3-5H,1-2H3;1H4
InChIKeyKASNIFYFHVPDGA-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.30
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
1-bromo-3,5-dimethylbenzene;(3,5-dimethylphenyl)boronic acid
CID 54402818
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
CID 171375446
CID 171375446
ethane;1,3,5-trimethylbenzene
CID 91530079
1-bromo-3-ethyl-5-methylbenzene;ethane
CID 142064327
6,25-dibromo-11,20,34,39-tetramethyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2(15),3,5,7,9,11,13,16(29),17,19,21,23,25,27,30,32,34,36,38,40-henicosaene
CID 132604286
1-bromo-3-(2-chloropropan-2-yl)-5-methylbenzene
CID 159521418
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
2-(3-bromo-5-methylphenyl)propan-2-amine
CID 83710324
1-bromo-3-(1-chloroethyl)-5-methylbenzene
CID 130132226
1-bromo-3-tert-butyl-5-methylbenzene;methoxymethane
CID 174322408

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene?
The IUPAC name of 1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene (CID 159079937) is 1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene.
What is the SMILES notation for 1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene?
The canonical SMILES for 1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene is C.Cc1cc(C)cc(Br)c1.Cc1cc(C)cc(C)c1.
What is the InChIKey of 1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene?
The InChIKey is KASNIFYFHVPDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H9Br.CH4/c1-7-4-8(2)6-9(3)5-7;1-6-3-7(2)5-8(9)4-6;/h4-6H,1-3H3;3-5H,1-2H3;1H4.
What are the key properties of 1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene?
1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene has a molecular weight of 321.30 g/mol, XLogP of 6.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene is sourced from PubChem (CID 159079937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).