1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol

C9H9BrClFO2 — CID 86666913

IUPAC1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(C(C)O)cc(Cl)c(F)c1Br
InChIInChI=1S/C9H9BrClFO2/c1-4(13)5-3-6(11)8(12)7(10)9(5)14-2/h3-4,13H,1-2H3
InChIKeySRVZOMKKFRWUOO-UHFFFAOYSA-N
MW283.52 g/mol
LogP3.30
Rot. Bonds2

About 1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol

1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol (PubChem CID 86666913) has the molecular formula C9H9BrClFO2 and a molecular weight of 283.52 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol
PubChem CID86666913
Molecular FormulaC9H9BrClFO2
Molecular Weight283.52 g/mol
Exact Mass281.95
IUPAC Name1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol
SMILESCOc1c(C(C)O)cc(Cl)c(F)c1Br
InChIInChI=1S/C9H9BrClFO2/c1-4(13)5-3-6(11)8(12)7(10)9(5)14-2/h3-4,13H,1-2H3
InChIKeySRVZOMKKFRWUOO-UHFFFAOYSA-N
XLogP3.30
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.52
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol (CID 86666913) is 1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol is COc1c(C(C)O)cc(Cl)c(F)c1Br.
What is the InChIKey of 1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol?
The InChIKey is SRVZOMKKFRWUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClFO2/c1-4(13)5-3-6(11)8(12)7(10)9(5)14-2/h3-4,13H,1-2H3.
What are the key properties of 1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol?
1-(3-bromo-5-chloro-4-fluoro-2-methoxyphenyl)ethanol has a molecular weight of 283.52 g/mol, XLogP of 3.30, 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-4-fluoro-2-methoxyphenyl)ethanol is sourced from PubChem (CID 86666913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).