4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane

C13H21BrO — CID 176990452

IUPAC4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane
SMILESCCCOC.CCc1cc(Br)ccc1C
InChIInChI=1S/C9H11Br.C4H10O/c1-3-8-6-9(10)5-4-7(8)2;1-3-4-5-2/h4-6H,3H2,1-2H3;3-4H2,1-2H3
InChIKeyVUBFPYJGHAPBTM-UHFFFAOYSA-N
MW273.21 g/mol
LogP4.36
Rot. Bonds3

About 4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane

4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane (PubChem CID 176990452) has the molecular formula C13H21BrO and a molecular weight of 273.21 g/mol. Its IUPAC name is 4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane.

Molecular Properties

Compound Name4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane
PubChem CID176990452
Molecular FormulaC13H21BrO
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane
SMILESCCCOC.CCc1cc(Br)ccc1C
InChIInChI=1S/C9H11Br.C4H10O/c1-3-8-6-9(10)5-4-7(8)2;1-3-4-5-2/h4-6H,3H2,1-2H3;3-4H2,1-2H3
InChIKeyVUBFPYJGHAPBTM-UHFFFAOYSA-N
XLogP4.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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(5-bromo-2-methylphenyl)methanamine;hydrochloride
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butane;ethane;2-ethyl-4-methoxy-1-methylbenzene
CID 178178141
N-[(5-bromo-2-methylphenyl)methyl]ethanesulfonamide
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1-(5-bromo-2-methylphenyl)-3-chloropropan-2-one
CID 130766659
N-[[5-bromo-2-(3-methoxypropoxy)phenyl]methyl]propan-1-amine
CID 54935828
(5-bromo-2-propoxyphenyl)methanesulfonyl chloride
CID 165446942
N-[2-(5-bromo-2-methylphenoxy)ethyl]-2-methoxyethanamine
CID 107286415
4-bromo-2-ethyl-1-fluorobenzene
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CID 65311170

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane?
The IUPAC name of 4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane (CID 176990452) is 4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane.
What is the SMILES notation for 4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane?
The canonical SMILES for 4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane is CCCOC.CCc1cc(Br)ccc1C.
What is the InChIKey of 4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane?
The InChIKey is VUBFPYJGHAPBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br.C4H10O/c1-3-8-6-9(10)5-4-7(8)2;1-3-4-5-2/h4-6H,3H2,1-2H3;3-4H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane?
4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane has a molecular weight of 273.21 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-1-methylbenzene;1-methoxypropane is sourced from PubChem (CID 176990452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).