2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol

C9H8BrFO2 — CID 84803252

IUPAC2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol
SMILESOc1c(Br)cc(F)cc1C1(O)CC1
InChIInChI=1S/C9H8BrFO2/c10-7-4-5(11)3-6(8(7)12)9(13)1-2-9/h3-4,12-13H,1-2H2
InChIKeyPOZCMXMFXHDBDH-UHFFFAOYSA-N
MW247.06 g/mol
LogP2.28
Rot. Bonds1

About 2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol

2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol (PubChem CID 84803252) has the molecular formula C9H8BrFO2 and a molecular weight of 247.06 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol
PubChem CID84803252
Molecular FormulaC9H8BrFO2
Molecular Weight247.06 g/mol
Exact Mass245.97
IUPAC Name2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol
SMILESOc1c(Br)cc(F)cc1C1(O)CC1
InChIInChI=1S/C9H8BrFO2/c10-7-4-5(11)3-6(8(7)12)9(13)1-2-9/h3-4,12-13H,1-2H2
InChIKeyPOZCMXMFXHDBDH-UHFFFAOYSA-N
XLogP2.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.06
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-3,5-difluorophenyl)cyclopropan-1-ol
CID 117375066
4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol
CID 117303487
2-[(dimethylamino)methyl]-4-fluoro-6-(1-hydroxycyclopropyl)phenol
CID 117323632
1-(2-bromo-4-fluorophenyl)cyclohexan-1-ol
CID 117104296
1-(2,4-dibromophenyl)cyclopropan-1-ol
CID 107957829
1-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667
2-bromo-4-fluoro-6-piperidin-4-ylphenol
CID 84713813
2-bromo-4-fluoro-6-methoxyphenol
CID 58419882
3-bromo-5-fluoro-2-hydroxybenzonitrile
CID 23148942
2-(4-bromo-6-fluoro-1-hydroxy-2,3-dihydroinden-1-yl)acetic acid
CID 11077081
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 103863094
2-(1-hydroxycyclopropyl)-4-methoxy-6-methylphenol
CID 117284601

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol?
The IUPAC name of 2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol (CID 84803252) is 2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol.
What is the SMILES notation for 2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol?
The canonical SMILES for 2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol is Oc1c(Br)cc(F)cc1C1(O)CC1.
What is the InChIKey of 2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol?
The InChIKey is POZCMXMFXHDBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO2/c10-7-4-5(11)3-6(8(7)12)9(13)1-2-9/h3-4,12-13H,1-2H2.
What are the key properties of 2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol?
2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol has a molecular weight of 247.06 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-(1-hydroxycyclopropyl)phenol is sourced from PubChem (CID 84803252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).