6-bromo-4-tert-butyl-3-chloro-2-fluorophenol

C10H11BrClFO — CID 169256345

IUPAC6-bromo-4-tert-butyl-3-chloro-2-fluorophenol
SMILESCC(C)(C)c1cc(Br)c(O)c(F)c1Cl
InChIInChI=1S/C10H11BrClFO/c1-10(2,3)5-4-6(11)9(14)8(13)7(5)12/h4,14H,1-3H3
InChIKeyURPQZCIIQBVEIC-UHFFFAOYSA-N
MW281.55 g/mol
LogP4.24
Rot. Bonds

About 6-bromo-4-tert-butyl-3-chloro-2-fluorophenol

6-bromo-4-tert-butyl-3-chloro-2-fluorophenol (PubChem CID 169256345) has the molecular formula C10H11BrClFO and a molecular weight of 281.55 g/mol. Its IUPAC name is 6-bromo-4-tert-butyl-3-chloro-2-fluorophenol.

Molecular Properties

Compound Name6-bromo-4-tert-butyl-3-chloro-2-fluorophenol
PubChem CID169256345
Molecular FormulaC10H11BrClFO
Molecular Weight281.55 g/mol
Exact Mass279.97
IUPAC Name6-bromo-4-tert-butyl-3-chloro-2-fluorophenol
SMILESCC(C)(C)c1cc(Br)c(O)c(F)c1Cl
InChIInChI=1S/C10H11BrClFO/c1-10(2,3)5-4-6(11)9(14)8(13)7(5)12/h4,14H,1-3H3
InChIKeyURPQZCIIQBVEIC-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.55
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-4-tert-butyl-5-fluorophenol
CID 69407920
2-bromo-4-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-6-tert-butylphenol
CID 2129750
4-bromo-3-fluoro-6-(2-hydroxypropan-2-yl)benzene-1,2-diol
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2-bromo-4-tert-butylnaphthalen-1-ol
CID 166610565
6-bromo-2-fluoro-4-(1-hydroxy-2-methylpropan-2-yl)-3-methoxyphenol
CID 117472979
1-bromo-5-tert-butyl-2,4-difluorobenzene
CID 153434868
3-bromo-5-tert-butyl-4-hydroxybenzonitrile
CID 21018
CID 158661910
CID 158661910
2,6-ditert-butyl-4-[1,2,2-tris(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]phenol
CID 22725873
2-bromo-4-tert-butyl-5-iodophenol
CID 166610557
5-bromo-2-chloro-3-fluoro-6-hydroxybenzoic acid
CID 83903185
6-bromo-4-chloro-3-fluoro-2-methoxyphenol
CID 84708614

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-tert-butyl-3-chloro-2-fluorophenol?
The IUPAC name of 6-bromo-4-tert-butyl-3-chloro-2-fluorophenol (CID 169256345) is 6-bromo-4-tert-butyl-3-chloro-2-fluorophenol.
What is the SMILES notation for 6-bromo-4-tert-butyl-3-chloro-2-fluorophenol?
The canonical SMILES for 6-bromo-4-tert-butyl-3-chloro-2-fluorophenol is CC(C)(C)c1cc(Br)c(O)c(F)c1Cl.
What is the InChIKey of 6-bromo-4-tert-butyl-3-chloro-2-fluorophenol?
The InChIKey is URPQZCIIQBVEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClFO/c1-10(2,3)5-4-6(11)9(14)8(13)7(5)12/h4,14H,1-3H3.
What are the key properties of 6-bromo-4-tert-butyl-3-chloro-2-fluorophenol?
6-bromo-4-tert-butyl-3-chloro-2-fluorophenol has a molecular weight of 281.55 g/mol, XLogP of 4.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-tert-butyl-3-chloro-2-fluorophenol is sourced from PubChem (CID 169256345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).