1-bromo-5-ethyl-2,4-dimethoxybenzene

C10H13BrO2 — CID 58764118

IUPAC1-bromo-5-ethyl-2,4-dimethoxybenzene
SMILESCCc1cc(Br)c(OC)cc1OC
InChIInChI=1S/C10H13BrO2/c1-4-7-5-8(11)10(13-3)6-9(7)12-2/h5-6H,4H2,1-3H3
InChIKeyKRVGAQWXFXTZLG-UHFFFAOYSA-N
MW245.12 g/mol
LogP3.03
Rot. Bonds3

About 1-bromo-5-ethyl-2,4-dimethoxybenzene

1-bromo-5-ethyl-2,4-dimethoxybenzene (PubChem CID 58764118) has the molecular formula C10H13BrO2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 1-bromo-5-ethyl-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-5-ethyl-2,4-dimethoxybenzene
PubChem CID58764118
Molecular FormulaC10H13BrO2
Molecular Weight245.12 g/mol
Exact Mass244.01
IUPAC Name1-bromo-5-ethyl-2,4-dimethoxybenzene
SMILESCCc1cc(Br)c(OC)cc1OC
InChIInChI=1S/C10H13BrO2/c1-4-7-5-8(11)10(13-3)6-9(7)12-2/h5-6H,4H2,1-3H3
InChIKeyKRVGAQWXFXTZLG-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

1-bromo-4-ethyl-5-fluoro-2-methoxybenzene
CID 144671819
3-(5-bromo-2,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 117487959
6-bromo-4-ethyl-7-methoxychromen-2-one
CID 130464576
1-bromo-4-(iodomethyl)-2,5-dimethoxybenzene
CID 64787018
2-(5-bromo-2,4-dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone
CID 142728271
2-[(5-bromo-2,4-dimethoxyphenyl)methyl-propylamino]ethanol
CID 30981796
N'-[(5-bromo-2,4-dimethoxyphenyl)methyl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
CID 2244920
(4,5-dibromo-2-methoxyphenyl)methanol
CID 118601977
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
2,5-diethyl-4-methoxyphenol
CID 162375149
O-[2-(5-bromo-2-ethoxy-4-methoxyphenyl)ethyl]hydroxylamine
CID 117468616
2,5-dibromo-4,7-dimethoxycyclohepta-2,4,6-trien-1-one
CID 14266950

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-ethyl-2,4-dimethoxybenzene?
The IUPAC name of 1-bromo-5-ethyl-2,4-dimethoxybenzene (CID 58764118) is 1-bromo-5-ethyl-2,4-dimethoxybenzene.
What is the SMILES notation for 1-bromo-5-ethyl-2,4-dimethoxybenzene?
The canonical SMILES for 1-bromo-5-ethyl-2,4-dimethoxybenzene is CCc1cc(Br)c(OC)cc1OC.
What is the InChIKey of 1-bromo-5-ethyl-2,4-dimethoxybenzene?
The InChIKey is KRVGAQWXFXTZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrO2/c1-4-7-5-8(11)10(13-3)6-9(7)12-2/h5-6H,4H2,1-3H3.
What are the key properties of 1-bromo-5-ethyl-2,4-dimethoxybenzene?
1-bromo-5-ethyl-2,4-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 1-bromo-5-ethyl-2,4-dimethoxybenzene is sourced from PubChem (CID 58764118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).