1-bromo-2-methyl-3-propylbenzene

C10H13Br — CID 143344358

IUPAC1-bromo-2-methyl-3-propylbenzene
SMILESCCCc1cccc(Br)c1C
InChIInChI=1S/C10H13Br/c1-3-5-9-6-4-7-10(11)8(9)2/h4,6-7H,3,5H2,1-2H3
InChIKeyZWFXEGIQGJWQNU-UHFFFAOYSA-N
MW213.12 g/mol
LogP3.71
Rot. Bonds2

About 1-bromo-2-methyl-3-propylbenzene

1-bromo-2-methyl-3-propylbenzene (PubChem CID 143344358) has the molecular formula C10H13Br and a molecular weight of 213.12 g/mol. Its IUPAC name is 1-bromo-2-methyl-3-propylbenzene.

Molecular Properties

Compound Name1-bromo-2-methyl-3-propylbenzene
PubChem CID143344358
Molecular FormulaC10H13Br
Molecular Weight213.12 g/mol
Exact Mass212.02
IUPAC Name1-bromo-2-methyl-3-propylbenzene
SMILESCCCc1cccc(Br)c1C
InChIInChI=1S/C10H13Br/c1-3-5-9-6-4-7-10(11)8(9)2/h4,6-7H,3,5H2,1-2H3
InChIKeyZWFXEGIQGJWQNU-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.12
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-methyl-3-(2-propylphenyl)benzene
CID 156726289
CID 160937062
CID 160937062
1-(3-bromo-2-methylphenyl)heptan-4-amine
CID 83925953
1-bromo-2-methyl-3-(propoxymethyl)benzene
CID 70271929
1-bromo-2-propylbenzene;formaldehyde
CID 174375700
bis(2-methyl-3-propylphenyl)methanone
CID 172692899
4-(3-bromo-2-methylphenyl)butane-1,2-diol
CID 83926043
5-(3-bromo-2-methylphenyl)pentan-2-amine
CID 83926001
1-(3-bromo-2-methylphenyl)propan-2-one
CID 83709858
(3-bromo-2-methylphenyl)methanesulfinate
CID 174525982
1-bromo-3-(isocyanatomethyl)-2-methylbenzene
CID 117324681
1-bromo-2,3-dimethylbenzene;N-ethylethanamine
CID 143866521

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methyl-3-propylbenzene?
The IUPAC name of 1-bromo-2-methyl-3-propylbenzene (CID 143344358) is 1-bromo-2-methyl-3-propylbenzene.
What is the SMILES notation for 1-bromo-2-methyl-3-propylbenzene?
The canonical SMILES for 1-bromo-2-methyl-3-propylbenzene is CCCc1cccc(Br)c1C.
What is the InChIKey of 1-bromo-2-methyl-3-propylbenzene?
The InChIKey is ZWFXEGIQGJWQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Br/c1-3-5-9-6-4-7-10(11)8(9)2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 1-bromo-2-methyl-3-propylbenzene?
1-bromo-2-methyl-3-propylbenzene has a molecular weight of 213.12 g/mol, XLogP of 3.71, 2 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-propylbenzene is sourced from PubChem (CID 143344358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).