1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol

C10H10BrF3O2 — CID 65433362

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
SMILESCOc1cc(C)c(Br)cc1C(O)C(F)(F)F
InChIInChI=1S/C10H10BrF3O2/c1-5-3-8(16-2)6(4-7(5)11)9(15)10(12,13)14/h3-4,9,15H,1-2H3
InChIKeyRHWKKRKOHVQQLV-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.36
Rot. Bonds2

About 1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol

1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol (PubChem CID 65433362) has the molecular formula C10H10BrF3O2 and a molecular weight of 299.09 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
PubChem CID65433362
Molecular FormulaC10H10BrF3O2
Molecular Weight299.09 g/mol
Exact Mass297.98
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol
SMILESCOc1cc(C)c(Br)cc1C(O)C(F)(F)F
InChIInChI=1S/C10H10BrF3O2/c1-5-3-8(16-2)6(4-7(5)11)9(15)10(12,13)14/h3-4,9,15H,1-2H3
InChIKeyRHWKKRKOHVQQLV-UHFFFAOYSA-N
XLogP3.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61101686
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 65439545
1-bromo-5-(1-chloro-3,3,3-trifluoropropyl)-4-methoxy-2-methylbenzene
CID 65432991
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,3,3-tetrafluoropropan-1-amine
CID 79660994
(5-bromo-2-methoxy-4-methylphenyl)-(3,5-dibromophenyl)methanol
CID 107980758
(5-bromo-2-methoxy-4-methylphenyl)-(2-methylphenyl)methanol
CID 65432012
(5-bromo-2-methoxy-4-methylphenyl)-(2-fluorophenyl)methanol
CID 65432204
4-bromo-2-methoxy-6-(2,2,2-trifluoro-1-hydroxyethyl)phenol
CID 83954646
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207664
1-(5-bromo-2-methoxy-4-methylphenyl)decan-1-ol
CID 65433754
2,2,2-trifluoro-1-[2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 83949728
(5-bromo-2-methoxy-4-methylphenyl)-(furan-2-yl)methanol
CID 65434718

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol (CID 65433362) is 1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol is COc1cc(C)c(Br)cc1C(O)C(F)(F)F.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol?
The InChIKey is RHWKKRKOHVQQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O2/c1-5-3-8(16-2)6(4-7(5)11)9(15)10(12,13)14/h3-4,9,15H,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol?
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol has a molecular weight of 299.09 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 65433362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).