1-bromo-2,3-dichloro-5-ethoxybenzene

C8H7BrCl2O — CID 171032896

IUPAC1-bromo-2,3-dichloro-5-ethoxybenzene
SMILESCCOc1cc(Cl)c(Cl)c(Br)c1
InChIInChI=1S/C8H7BrCl2O/c1-2-12-5-3-6(9)8(11)7(10)4-5/h3-4H,2H2,1H3
InChIKeyORAAOHTVPKQTMU-UHFFFAOYSA-N
MW269.95 g/mol
LogP4.15
Rot. Bonds2

About 1-bromo-2,3-dichloro-5-ethoxybenzene

1-bromo-2,3-dichloro-5-ethoxybenzene (PubChem CID 171032896) has the molecular formula C8H7BrCl2O and a molecular weight of 269.95 g/mol. Its IUPAC name is 1-bromo-2,3-dichloro-5-ethoxybenzene.

Molecular Properties

Compound Name1-bromo-2,3-dichloro-5-ethoxybenzene
PubChem CID171032896
Molecular FormulaC8H7BrCl2O
Molecular Weight269.95 g/mol
Exact Mass267.91
IUPAC Name1-bromo-2,3-dichloro-5-ethoxybenzene
SMILESCCOc1cc(Cl)c(Cl)c(Br)c1
InChIInChI=1S/C8H7BrCl2O/c1-2-12-5-3-6(9)8(11)7(10)4-5/h3-4H,2H2,1H3
InChIKeyORAAOHTVPKQTMU-UHFFFAOYSA-N
XLogP4.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.95
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-bromo-2,3-dichloro-5-(2-ethoxyethoxy)benzene
CID 163990086
CID 90889125
CID 90889125
2,6-dibromo-4-ethoxyaniline
CID 14043930
1-bromo-3,5-diethoxybenzene
CID 150473293
2-chloro-5-ethoxy-1,3-difluorobenzene
CID 118847384
1-chloro-5-ethoxy-2-iodo-3-methylbenzene
CID 164892578
1-bromo-5-ethoxy-2-fluoro-3-methylbenzene
CID 164891518
1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene
CID 171367314
1-bromo-2-(bromomethyl)-4-chloro-5-[(4-ethoxyphenyl)methyl]benzene
CID 59557690
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451
1,2,3-trichloro-5-heptoxybenzene
CID 101293566
3-bromo-5-ethoxypyridin-2-amine
CID 146405425

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2,3-dichloro-5-ethoxybenzene?
The IUPAC name of 1-bromo-2,3-dichloro-5-ethoxybenzene (CID 171032896) is 1-bromo-2,3-dichloro-5-ethoxybenzene.
What is the SMILES notation for 1-bromo-2,3-dichloro-5-ethoxybenzene?
The canonical SMILES for 1-bromo-2,3-dichloro-5-ethoxybenzene is CCOc1cc(Cl)c(Cl)c(Br)c1.
What is the InChIKey of 1-bromo-2,3-dichloro-5-ethoxybenzene?
The InChIKey is ORAAOHTVPKQTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrCl2O/c1-2-12-5-3-6(9)8(11)7(10)4-5/h3-4H,2H2,1H3.
What are the key properties of 1-bromo-2,3-dichloro-5-ethoxybenzene?
1-bromo-2,3-dichloro-5-ethoxybenzene has a molecular weight of 269.95 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2,3-dichloro-5-ethoxybenzene is sourced from PubChem (CID 171032896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).