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

C10H12BrClO2 — CID 86666816

IUPAC1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol
SMILESCOc1c(C(C)O)cc(Cl)c(C)c1Br
InChIInChI=1S/C10H12BrClO2/c1-5-8(12)4-7(6(2)13)10(14-3)9(5)11/h4,6,13H,1-3H3
InChIKeyPLRGUWUDGVQVPY-UHFFFAOYSA-N
MW279.56 g/mol
LogP3.47
Rot. Bonds2

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

1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol (PubChem CID 86666816) has the molecular formula C10H12BrClO2 and a molecular weight of 279.56 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol
PubChem CID86666816
Molecular FormulaC10H12BrClO2
Molecular Weight279.56 g/mol
Exact Mass277.97
IUPAC Name1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol
SMILESCOc1c(C(C)O)cc(Cl)c(C)c1Br
InChIInChI=1S/C10H12BrClO2/c1-5-8(12)4-7(6(2)13)10(14-3)9(5)11/h4,6,13H,1-3H3
InChIKeyPLRGUWUDGVQVPY-UHFFFAOYSA-N
XLogP3.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.56
LogP ≤ 53.47
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-methoxy-4-methylphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol (CID 86666816) is 1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol is COc1c(C(C)O)cc(Cl)c(C)c1Br.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol?
The InChIKey is PLRGUWUDGVQVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClO2/c1-5-8(12)4-7(6(2)13)10(14-3)9(5)11/h4,6,13H,1-3H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol?
1-(3-bromo-5-chloro-2-methoxy-4-methylphenyl)ethanol has a molecular weight of 279.56 g/mol, XLogP of 3.47, 2 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-methoxy-4-methylphenyl)ethanol is sourced from PubChem (CID 86666816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).