(3-bromo-2-(19F)fluoro-5-methylphenyl)methanol

C8H8BrFO — CID 101070863

IUPAC(3-bromo-2-(19F)fluoro-5-methylphenyl)methanol
SMILESCc1cc(Br)c([19F])c(CO)c1
InChIInChI=1S/C8H8BrFO/c1-5-2-6(4-11)8(10)7(9)3-5/h2-3,11H,4H2,1H3/i10+0
InChIKeyABZHOJSLEZVRGF-GHZULEPWSA-N
MW219.05 g/mol
LogP2.39
Rot. Bonds1

About (3-bromo-2-(19F)fluoro-5-methylphenyl)methanol

(3-bromo-2-(19F)fluoro-5-methylphenyl)methanol (PubChem CID 101070863) has the molecular formula C8H8BrFO and a molecular weight of 219.05 g/mol. Its IUPAC name is (3-bromo-2-(19F)fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-2-(19F)fluoro-5-methylphenyl)methanol
PubChem CID101070863
Molecular FormulaC8H8BrFO
Molecular Weight219.05 g/mol
Exact Mass217.97
IUPAC Name(3-bromo-2-(19F)fluoro-5-methylphenyl)methanol
SMILESCc1cc(Br)c([19F])c(CO)c1
InChIInChI=1S/C8H8BrFO/c1-5-2-6(4-11)8(10)7(9)3-5/h2-3,11H,4H2,1H3/i10+0
InChIKeyABZHOJSLEZVRGF-GHZULEPWSA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.05
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluoro-5-methylphenyl)propan-2-one
CID 84704825
(3-bromo-2,5-difluorophenyl)methanol
CID 66657412
2-fluoro-3-(hydroxymethyl)-5-methylphenol
CID 117276057
1-(3-bromo-2-fluoro-5-methylphenyl)-N-methylmethanamine
CID 84695301
3-(3-bromo-2-fluoro-5-methylphenyl)propanal
CID 117363986
2-fluoro-6-(hydroxymethyl)-4-methylphenol
CID 84650325
1-(3-bromo-2-fluoro-5-methylphenyl)-N-methoxymethanamine
CID 117372708
(5-bromo-3-chloro-2,4-difluorophenyl)methanol
CID 102171552
4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol
CID 84798374
[3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol
CID 171016775
(3-bromo-2-cyclopropyloxy-5-methylphenyl)methanol
CID 84709075
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-(19F)fluoro-5-methylphenyl)methanol?
The IUPAC name of (3-bromo-2-(19F)fluoro-5-methylphenyl)methanol (CID 101070863) is (3-bromo-2-(19F)fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (3-bromo-2-(19F)fluoro-5-methylphenyl)methanol?
The canonical SMILES for (3-bromo-2-(19F)fluoro-5-methylphenyl)methanol is Cc1cc(Br)c([19F])c(CO)c1.
What is the InChIKey of (3-bromo-2-(19F)fluoro-5-methylphenyl)methanol?
The InChIKey is ABZHOJSLEZVRGF-GHZULEPWSA-N. The full InChI is InChI=1S/C8H8BrFO/c1-5-2-6(4-11)8(10)7(9)3-5/h2-3,11H,4H2,1H3/i10+0.
What are the key properties of (3-bromo-2-(19F)fluoro-5-methylphenyl)methanol?
(3-bromo-2-(19F)fluoro-5-methylphenyl)methanol has a molecular weight of 219.05 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-(19F)fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 101070863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).