3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol

C10H10BrFO — CID 79334676

IUPAC3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol
SMILESCC(=Cc1ccc(F)c(Br)c1)CO
InChIInChI=1S/C10H10BrFO/c1-7(6-13)4-8-2-3-10(12)9(11)5-8/h2-5,13H,6H2,1H3
InChIKeyXWHWLMLGCMTLPX-UHFFFAOYSA-N
MW245.09 g/mol
LogP2.98
Rot. Bonds2

About 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol

3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol (PubChem CID 79334676) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol
PubChem CID79334676
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol
SMILESCC(=Cc1ccc(F)c(Br)c1)CO
InChIInChI=1S/C10H10BrFO/c1-7(6-13)4-8-2-3-10(12)9(11)5-8/h2-5,13H,6H2,1H3
InChIKeyXWHWLMLGCMTLPX-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-amine
CID 79330405
2-fluoro-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]phenol
CID 107693855
3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79335022
2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile
CID 107937049
(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol
CID 12922166
4-(3-bromo-2-methylprop-1-enyl)-1,2-difluorobenzene
CID 79324340
3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol
CID 79335243
(E)-3-(3-bromo-4-fluorophenyl)prop-2-en-1-amine
CID 63969673
tert-butyl (E)-3-(3-bromo-4-fluorophenyl)prop-2-enoate
CID 129491127
(E)-3-(3-bromo-4-fluorophenyl)-N,N-dimethylprop-2-enamide
CID 119087183
(3Z)-3-[(3-bromo-4-fluorophenyl)methylidene]-1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione
CID 70136608
3-(3-bromo-4-fluorophenyl)-N-propan-2-ylprop-2-en-1-amine
CID 79347279

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol (CID 79334676) is 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol is CC(=Cc1ccc(F)c(Br)c1)CO.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol?
The InChIKey is XWHWLMLGCMTLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-7(6-13)4-8-2-3-10(12)9(11)5-8/h2-5,13H,6H2,1H3.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol?
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol has a molecular weight of 245.09 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 79334676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).