(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol

C9H10BrFO2 — CID 84706875

IUPAC(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol
SMILESCOc1c(F)cc(Br)c(C)c1CO
InChIInChI=1S/C9H10BrFO2/c1-5-6(4-12)9(13-2)8(11)3-7(5)10/h3,12H,4H2,1-2H3
InChIKeyFCLLMGJGMQIEJJ-UHFFFAOYSA-N
MW249.08 g/mol
LogP2.40
Rot. Bonds2

About (5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol

(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol (PubChem CID 84706875) has the molecular formula C9H10BrFO2 and a molecular weight of 249.08 g/mol. Its IUPAC name is (5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol.

Molecular Properties

Compound Name(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol
PubChem CID84706875
Molecular FormulaC9H10BrFO2
Molecular Weight249.08 g/mol
Exact Mass247.98
IUPAC Name(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol
SMILESCOc1c(F)cc(Br)c(C)c1CO
InChIInChI=1S/C9H10BrFO2/c1-5-6(4-12)9(13-2)8(11)3-7(5)10/h3,12H,4H2,1-2H3
InChIKeyFCLLMGJGMQIEJJ-UHFFFAOYSA-N
XLogP2.40
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.08
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol?
The IUPAC name of (5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol (CID 84706875) is (5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol.
What is the SMILES notation for (5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol?
The canonical SMILES for (5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol is COc1c(F)cc(Br)c(C)c1CO.
What is the InChIKey of (5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol?
The InChIKey is FCLLMGJGMQIEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO2/c1-5-6(4-12)9(13-2)8(11)3-7(5)10/h3,12H,4H2,1-2H3.
What are the key properties of (5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol?
(5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol has a molecular weight of 249.08 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-fluoro-2-methoxy-6-methylphenyl)methanol is sourced from PubChem (CID 84706875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).