2-bromo-1-ethyl-4-methoxybenzene

C9H11BrO — CID 59138196

IUPAC2-bromo-1-ethyl-4-methoxybenzene
SMILESCCc1ccc(OC)cc1Br
InChIInChI=1S/C9H11BrO/c1-3-7-4-5-8(11-2)6-9(7)10/h4-6H,3H2,1-2H3
InChIKeyPIPKSXJTPSSWRY-UHFFFAOYSA-N
MW215.09 g/mol
LogP3.02
Rot. Bonds2

About 2-bromo-1-ethyl-4-methoxybenzene

2-bromo-1-ethyl-4-methoxybenzene (PubChem CID 59138196) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 2-bromo-1-ethyl-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-ethyl-4-methoxybenzene
PubChem CID59138196
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name2-bromo-1-ethyl-4-methoxybenzene
SMILESCCc1ccc(OC)cc1Br
InChIInChI=1S/C9H11BrO/c1-3-7-4-5-8(11-2)6-9(7)10/h4-6H,3H2,1-2H3
InChIKeyPIPKSXJTPSSWRY-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-(chloromethyl)-4-methoxybenzene
CID 18624207
2-bromo-1-(2-chloroethyl)-4-methoxybenzene
CID 130534302
2-bromo-4-methoxy-1-(2-methylpropyl)benzene
CID 59138230
(2-bromo-4-methoxyphenyl)methanesulfinic acid
CID 174497645
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
1-ethyl-4-methoxy-2-(methoxymethyl)benzene
CID 143738113
3-(2-bromo-4-methoxyphenyl)propan-1-amine
CID 82622371
2-bromo-1-[5-(2-bromo-4-methoxyphenyl)-2,4-dimethylpentyl]-4-methoxybenzene
CID 21039854
2-(2-bromo-4-methoxyphenyl)ethanethioamide
CID 83321838
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
2-bromo-4-methoxy-1-(propan-2-ylsulfanylmethyl)benzene
CID 117221433

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethyl-4-methoxybenzene?
The IUPAC name of 2-bromo-1-ethyl-4-methoxybenzene (CID 59138196) is 2-bromo-1-ethyl-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-ethyl-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-ethyl-4-methoxybenzene is CCc1ccc(OC)cc1Br.
What is the InChIKey of 2-bromo-1-ethyl-4-methoxybenzene?
The InChIKey is PIPKSXJTPSSWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-3-7-4-5-8(11-2)6-9(7)10/h4-6H,3H2,1-2H3.
What are the key properties of 2-bromo-1-ethyl-4-methoxybenzene?
2-bromo-1-ethyl-4-methoxybenzene has a molecular weight of 215.09 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-4-methoxybenzene is sourced from PubChem (CID 59138196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).