4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol

C9H9BrF2O2 — CID 117420953

IUPAC4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
SMILESCC(C)(O)c1c(O)c(F)cc(Br)c1F
InChIInChI=1S/C9H9BrF2O2/c1-9(2,14)6-7(12)4(10)3-5(11)8(6)13/h3,13-14H,1-2H3
InChIKeyOJWQHKCDBPNBQZ-UHFFFAOYSA-N
MW267.07 g/mol
LogP2.66
Rot. Bonds1

About 4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol

4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol (PubChem CID 117420953) has the molecular formula C9H9BrF2O2 and a molecular weight of 267.07 g/mol. Its IUPAC name is 4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol.

Molecular Properties

Compound Name4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
PubChem CID117420953
Molecular FormulaC9H9BrF2O2
Molecular Weight267.07 g/mol
Exact Mass265.98
IUPAC Name4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
SMILESCC(C)(O)c1c(O)c(F)cc(Br)c1F
InChIInChI=1S/C9H9BrF2O2/c1-9(2,14)6-7(12)4(10)3-5(11)8(6)13/h3,13-14H,1-2H3
InChIKeyOJWQHKCDBPNBQZ-UHFFFAOYSA-N
XLogP2.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.07
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-bromo-2,5,6-trifluorophenyl)propan-2-ol
CID 117113950
3,4,6-trifluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117294409
4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol
CID 84711326
2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
CID 117473013
2,4-difluoro-3-(2-hydroxypropan-2-yl)phenol
CID 117280993
4-fluoro-3-(2-hydroxypropan-2-yl)-5-methoxybenzene-1,2-diol
CID 117307825
2,5-dibromo-3,6-difluorophenol
CID 118990727
6-bromo-3,4-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117451003
3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117445523
2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol
CID 84807026
2-bromo-6-fluorobenzene-1,4-diol
CID 84674762
3-bromo-2,5-difluoro-6-hydroxybenzonitrile
CID 117339712

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol?
The IUPAC name of 4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol (CID 117420953) is 4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol.
What is the SMILES notation for 4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol?
The canonical SMILES for 4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol is CC(C)(O)c1c(O)c(F)cc(Br)c1F.
What is the InChIKey of 4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol?
The InChIKey is OJWQHKCDBPNBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2O2/c1-9(2,14)6-7(12)4(10)3-5(11)8(6)13/h3,13-14H,1-2H3.
What are the key properties of 4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol?
4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol has a molecular weight of 267.07 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol is sourced from PubChem (CID 117420953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).