2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol

C10H12BrClO2 — CID 88540331

IUPAC2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol
SMILESCOc1c(CCO)cc(Cl)c(C)c1Br
InChIInChI=1S/C10H12BrClO2/c1-6-8(12)5-7(3-4-13)10(14-2)9(6)11/h5,13H,3-4H2,1-2H3
InChIKeyUECUEOMACGKMKM-UHFFFAOYSA-N
MW279.56 g/mol
LogP2.95
Rot. Bonds3

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

2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol (PubChem CID 88540331) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol
PubChem CID88540331
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol
SMILESCOc1c(CCO)cc(Cl)c(C)c1Br
InChIInChI=1S/C10H12BrClO2/c1-6-8(12)5-7(3-4-13)10(14-2)9(6)11/h5,13H,3-4H2,1-2H3
InChIKeyUECUEOMACGKMKM-UHFFFAOYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol (CID 88540331) is 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol is COc1c(CCO)cc(Cl)c(C)c1Br.
What is the InChIKey of 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol?
The InChIKey is UECUEOMACGKMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-6-8(12)5-7(3-4-13)10(14-2)9(6)11/h5,13H,3-4H2,1-2H3.
What are the key properties of 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol?
2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol has a molecular weight of 279.56 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 88540331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).