2-bromo-3-ethyl-1,4-dimethoxybenzene

C10H13BrO2 — CID 84704847

IUPAC2-bromo-3-ethyl-1,4-dimethoxybenzene
SMILESCCc1c(OC)ccc(OC)c1Br
InChIInChI=1S/C10H13BrO2/c1-4-7-8(12-2)5-6-9(13-3)10(7)11/h5-6H,4H2,1-3H3
InChIKeyFOQYERFNPRYIJA-UHFFFAOYSA-N
MW245.12 g/mol
LogP3.03
Rot. Bonds3

About 2-bromo-3-ethyl-1,4-dimethoxybenzene

2-bromo-3-ethyl-1,4-dimethoxybenzene (PubChem CID 84704847) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-bromo-3-ethyl-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-bromo-3-ethyl-1,4-dimethoxybenzene
PubChem CID84704847
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name2-bromo-3-ethyl-1,4-dimethoxybenzene
SMILESCCc1c(OC)ccc(OC)c1Br
InChIInChI=1S/C10H13BrO2/c1-4-7-8(12-2)5-6-9(13-3)10(7)11/h5-6H,4H2,1-3H3
InChIKeyFOQYERFNPRYIJA-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dibromo-6-methoxyphenyl)methanol
CID 171002454
2-(2-bromo-3,6-dimethoxyphenyl)acetic acid
CID 84810613
3-(2-bromo-3,6-dimethoxyphenyl)propanal
CID 117435067
(2-ethyl-3,6-dimethoxyphenyl)methanamine
CID 84666315
1-[(2-bromo-3,6-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117462925
(2-bromo-6-fluoro-3-methoxyphenyl)methanol
CID 83383602
tris(2,3-diethyl-4-methoxyphenyl) phosphate
CID 177312827
(2,3-diethyl-4-methoxyphenoxy)boronic acid
CID 54089245
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
ethyl 2-(2-bromo-3-methoxy-6-methylphenyl)acetate
CID 171001723
1-bromo-2,3-bis(bromomethyl)-4-methoxybenzene
CID 11740051

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-ethyl-1,4-dimethoxybenzene?
The IUPAC name of 2-bromo-3-ethyl-1,4-dimethoxybenzene (CID 84704847) is 2-bromo-3-ethyl-1,4-dimethoxybenzene.
What is the SMILES notation for 2-bromo-3-ethyl-1,4-dimethoxybenzene?
The canonical SMILES for 2-bromo-3-ethyl-1,4-dimethoxybenzene is CCc1c(OC)ccc(OC)c1Br.
What is the InChIKey of 2-bromo-3-ethyl-1,4-dimethoxybenzene?
The InChIKey is FOQYERFNPRYIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-4-7-8(12-2)5-6-9(13-3)10(7)11/h5-6H,4H2,1-3H3.
What are the key properties of 2-bromo-3-ethyl-1,4-dimethoxybenzene?
2-bromo-3-ethyl-1,4-dimethoxybenzene has a molecular weight of 245.12 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-ethyl-1,4-dimethoxybenzene is sourced from PubChem (CID 84704847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).