(3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

C13H10BrF3O2 — CID 106886320

IUPAC(3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1occc1Br
InChIInChI=1S/C13H10BrF3O2/c1-7-6-8(13(15,16)17)2-3-9(7)11(18)12-10(14)4-5-19-12/h2-6,11,18H,1H3
InChIKeyRTLIOEMYHUUEPQ-UHFFFAOYSA-N
MW335.12 g/mol
LogP4.45
Rot. Bonds2

About (3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol

(3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (PubChem CID 106886320) has the molecular formula C13H10BrF3O2 and a molecular weight of 335.12 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
PubChem CID106886320
Molecular FormulaC13H10BrF3O2
Molecular Weight335.12 g/mol
Exact Mass333.98
IUPAC Name(3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)ccc1C(O)c1occc1Br
InChIInChI=1S/C13H10BrF3O2/c1-7-6-8(13(15,16)17)2-3-9(7)11(18)12-10(14)4-5-19-12/h2-6,11,18H,1H3
InChIKeyRTLIOEMYHUUEPQ-UHFFFAOYSA-N
XLogP4.45
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromofuran-2-yl)-(4-fluoro-2-methylphenyl)methanol
CID 63941244
(2,5-dibromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102759051
(3-bromo-4-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751415
(3-bromofuran-2-yl)-(5-chloro-2-methylphenyl)methanol
CID 115800715
[2-methyl-4-(trifluoromethyl)phenyl]-phenylmethanol
CID 102751287
[2-bromo-5-(trifluoromethyl)phenyl]-(2-methylphenyl)methanol
CID 114979165
(3-bromofuran-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 63944186
[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethanol
CID 102751290
(2,3-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751424
(4-fluoro-3-methylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol
CID 102751473
(2-bromo-4,5-dimethoxyphenyl)-(3-bromofuran-2-yl)methanol
CID 63941832
(3-bromofuran-2-yl)-(2-methyl-3-pyridinyl)methanol
CID 105099514

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol (CID 106886320) is (3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is Cc1cc(C(F)(F)F)ccc1C(O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is RTLIOEMYHUUEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF3O2/c1-7-6-8(13(15,16)17)2-3-9(7)11(18)12-10(14)4-5-19-12/h2-6,11,18H,1H3.
What are the key properties of (3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol?
(3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 335.12 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 106886320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).