6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol

C10H9BrF2O2 — CID 117447256

IUPAC6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol
SMILESOc1c(Br)cc(CC2(O)CC2)c(F)c1F
InChIInChI=1S/C10H9BrF2O2/c11-6-3-5(4-10(15)1-2-10)7(12)8(13)9(6)14/h3,14-15H,1-2,4H2
InChIKeyYGWKFQKUPNVUFT-UHFFFAOYSA-N
MW279.08 g/mol
LogP2.50
Rot. Bonds2

About 6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol

6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol (PubChem CID 117447256) has the molecular formula C10H9BrF2O2 and a molecular weight of 279.08 g/mol. Its IUPAC name is 6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol.

Molecular Properties

Compound Name6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol
PubChem CID117447256
Molecular FormulaC10H9BrF2O2
Molecular Weight279.08 g/mol
Exact Mass277.98
IUPAC Name6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol
SMILESOc1c(Br)cc(CC2(O)CC2)c(F)c1F
InChIInChI=1S/C10H9BrF2O2/c11-6-3-5(4-10(15)1-2-10)7(12)8(13)9(6)14/h3,14-15H,1-2,4H2
InChIKeyYGWKFQKUPNVUFT-UHFFFAOYSA-N
XLogP2.50
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromo-2,3,5-trifluorophenyl)methyl]cyclopropan-1-ol
CID 117117572
2-fluoro-3-[(1-hydroxycyclopropyl)methyl]-5-methylphenol
CID 117286145
1-[(5-bromo-2-chloro-4-fluorophenyl)methyl]cyclopropan-1-ol
CID 117448567
1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
4-bromo-3-fluoro-2-[(1-hydroxycyclopropyl)methyl]phenol
CID 117406412
1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117466681
4-(3-aminopropyl)-6-bromo-2,3-difluorophenol
CID 117419034
4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol
CID 84798374
4-chloro-2-fluoro-6-[(1-hydroxycyclopropyl)methyl]phenol
CID 117308613
4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117324891
1-[(5-chloro-2-fluoro-3-methylphenyl)methyl]cyclopropan-1-ol
CID 117305949
4-fluoro-2-[(1-hydroxycyclopropyl)methyl]-6-methoxyphenol
CID 117302776

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol?
The IUPAC name of 6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol (CID 117447256) is 6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol.
What is the SMILES notation for 6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol?
The canonical SMILES for 6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol is Oc1c(Br)cc(CC2(O)CC2)c(F)c1F.
What is the InChIKey of 6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol?
The InChIKey is YGWKFQKUPNVUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O2/c11-6-3-5(4-10(15)1-2-10)7(12)8(13)9(6)14/h3,14-15H,1-2,4H2.
What are the key properties of 6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol?
6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol has a molecular weight of 279.08 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-difluoro-4-[(1-hydroxycyclopropyl)methyl]phenol is sourced from PubChem (CID 117447256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).