1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol

C11H14BrClO2 — CID 86677774

IUPAC1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol
SMILESCCOc1c(C(C)O)cc(Cl)c(C)c1Br
InChIInChI=1S/C11H14BrClO2/c1-4-15-11-8(7(3)14)5-9(13)6(2)10(11)12/h5,7,14H,4H2,1-3H3
InChIKeyCROGGKFGGAYLEQ-UHFFFAOYSA-N
MW293.59 g/mol
LogP3.86
Rot. Bonds3

About 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol

1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol (PubChem CID 86677774) has the molecular formula C11H14BrClO2 and a molecular weight of 293.59 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol
PubChem CID86677774
Molecular FormulaC11H14BrClO2
Molecular Weight293.59 g/mol
Exact Mass291.99
IUPAC Name1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol
SMILESCCOc1c(C(C)O)cc(Cl)c(C)c1Br
InChIInChI=1S/C11H14BrClO2/c1-4-15-11-8(7(3)14)5-9(13)6(2)10(11)12/h5,7,14H,4H2,1-3H3
InChIKeyCROGGKFGGAYLEQ-UHFFFAOYSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol (CID 86677774) is 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol is CCOc1c(C(C)O)cc(Cl)c(C)c1Br.
What is the InChIKey of 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol?
The InChIKey is CROGGKFGGAYLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO2/c1-4-15-11-8(7(3)14)5-9(13)6(2)10(11)12/h5,7,14H,4H2,1-3H3.
What are the key properties of 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol?
1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol has a molecular weight of 293.59 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 86677774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).