2-(3-bromo-5-methylphenyl)-2-fluoroethanol

C9H10BrFO — CID 178200098

IUPAC2-(3-bromo-5-methylphenyl)-2-fluoroethanol
SMILESCc1cc(Br)cc(C(F)CO)c1
InChIInChI=1S/C9H10BrFO/c1-6-2-7(9(11)5-12)4-8(10)3-6/h2-4,9,12H,5H2,1H3
InChIKeyPUSYVDGIABMQKC-UHFFFAOYSA-N
MW233.08 g/mol
LogP2.76
Rot. Bonds2

About 2-(3-bromo-5-methylphenyl)-2-fluoroethanol

2-(3-bromo-5-methylphenyl)-2-fluoroethanol (PubChem CID 178200098) has the molecular formula C9H10BrFO and a molecular weight of 233.08 g/mol. Its IUPAC name is 2-(3-bromo-5-methylphenyl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(3-bromo-5-methylphenyl)-2-fluoroethanol
PubChem CID178200098
Molecular FormulaC9H10BrFO
Molecular Weight233.08 g/mol
Exact Mass231.99
IUPAC Name2-(3-bromo-5-methylphenyl)-2-fluoroethanol
SMILESCc1cc(Br)cc(C(F)CO)c1
InChIInChI=1S/C9H10BrFO/c1-6-2-7(9(11)5-12)4-8(10)3-6/h2-4,9,12H,5H2,1H3
InChIKeyPUSYVDGIABMQKC-UHFFFAOYSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.08
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-(3-bromo-5-methylphenyl)-2-(methylamino)ethanol
CID 130641805
1-(3-bromo-5-methylphenyl)ethanol
CID 84680750
3-amino-1-(3-bromo-5-methylphenyl)propane-1,2-diol
CID 170829300
1-(3-bromo-5-methylphenyl)-3-(methylamino)propane-1,2-diol
CID 171859224
(3-bromo-5-methylphenyl)-(3,5-difluorophenyl)methanol
CID 115793225
1-bromo-3-(1-chloroethyl)-5-methylbenzene
CID 130132226
1-bromo-3-(1-bromo-2,2,2-trifluoroethyl)-5-methylbenzene
CID 130132223
1-(3-bromo-5-methylphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 115781909
(3-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(2S)-2-amino-2-(3-bromo-5-methylphenyl)acetic acid
CID 130864981
(3-bromo-2,6-difluorophenyl)-(3-bromo-5-methylphenyl)methanol
CID 106945118
1-bromo-3,5-dimethylbenzene;ethane
CID 144646164

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-methylphenyl)-2-fluoroethanol?
The IUPAC name of 2-(3-bromo-5-methylphenyl)-2-fluoroethanol (CID 178200098) is 2-(3-bromo-5-methylphenyl)-2-fluoroethanol.
What is the SMILES notation for 2-(3-bromo-5-methylphenyl)-2-fluoroethanol?
The canonical SMILES for 2-(3-bromo-5-methylphenyl)-2-fluoroethanol is Cc1cc(Br)cc(C(F)CO)c1.
What is the InChIKey of 2-(3-bromo-5-methylphenyl)-2-fluoroethanol?
The InChIKey is PUSYVDGIABMQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrFO/c1-6-2-7(9(11)5-12)4-8(10)3-6/h2-4,9,12H,5H2,1H3.
What are the key properties of 2-(3-bromo-5-methylphenyl)-2-fluoroethanol?
2-(3-bromo-5-methylphenyl)-2-fluoroethanol has a molecular weight of 233.08 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-methylphenyl)-2-fluoroethanol is sourced from PubChem (CID 178200098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).