1-bromo-2-methyl-3-(2-propylphenyl)benzene

C16H17Br — CID 156726289

IUPAC1-bromo-2-methyl-3-(2-propylphenyl)benzene
SMILESCCCc1ccccc1-c1cccc(Br)c1C
InChIInChI=1S/C16H17Br/c1-3-7-13-8-4-5-9-15(13)14-10-6-11-16(17)12(14)2/h4-6,8-11H,3,7H2,1-2H3
InChIKeyNPPZTSSVTYMAHE-UHFFFAOYSA-N
MW289.22 g/mol
LogP5.38
Rot. Bonds3

About 1-bromo-2-methyl-3-(2-propylphenyl)benzene

1-bromo-2-methyl-3-(2-propylphenyl)benzene (PubChem CID 156726289) has the molecular formula C16H17Br and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-bromo-2-methyl-3-(2-propylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-2-methyl-3-(2-propylphenyl)benzene
PubChem CID156726289
Molecular FormulaC16H17Br
Molecular Weight289.22 g/mol
Exact Mass288.05
IUPAC Name1-bromo-2-methyl-3-(2-propylphenyl)benzene
SMILESCCCc1ccccc1-c1cccc(Br)c1C
InChIInChI=1S/C16H17Br/c1-3-7-13-8-4-5-9-15(13)14-10-6-11-16(17)12(14)2/h4-6,8-11H,3,7H2,1-2H3
InChIKeyNPPZTSSVTYMAHE-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.22
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-methyl-3-propylbenzene
CID 143344358
1-methyl-2,3-bis(2-propylphenyl)benzene
CID 123997531
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
1-fluoro-2-(2-propylphenyl)benzene
CID 154059621
CID 160937062
CID 160937062
3-(3-bromo-2-methylphenyl)-2-methylphenol
CID 167107181
2,4-dimethyl-1-(2-propylphenyl)benzene
CID 123254969
1-(2-ethylphenyl)-2-methyl-3-(4-propylphenyl)benzene
CID 156827418
ethane;1-methyl-3-(2-propylphenyl)benzene
CID 145018385
1-(2-butylphenyl)-3-(4-butylphenyl)-2-methylbenzene
CID 156826942
3-methyl-2-(2-propylphenyl)-1H-indene
CID 173085124
1-bromo-2-methyl-3-(propoxymethyl)benzene
CID 70271929

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-3-(2-propylphenyl)benzene?
The IUPAC name of 1-bromo-2-methyl-3-(2-propylphenyl)benzene (CID 156726289) is 1-bromo-2-methyl-3-(2-propylphenyl)benzene.
What is the SMILES notation for 1-bromo-2-methyl-3-(2-propylphenyl)benzene?
The canonical SMILES for 1-bromo-2-methyl-3-(2-propylphenyl)benzene is CCCc1ccccc1-c1cccc(Br)c1C.
What is the InChIKey of 1-bromo-2-methyl-3-(2-propylphenyl)benzene?
The InChIKey is NPPZTSSVTYMAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br/c1-3-7-13-8-4-5-9-15(13)14-10-6-11-16(17)12(14)2/h4-6,8-11H,3,7H2,1-2H3.
What are the key properties of 1-bromo-2-methyl-3-(2-propylphenyl)benzene?
1-bromo-2-methyl-3-(2-propylphenyl)benzene has a molecular weight of 289.22 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methyl-3-(2-propylphenyl)benzene is sourced from PubChem (CID 156726289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).