2-bromo-6-chloro-4-methylphenol

C7H6BrClO — CID 13358044

IUPAC2-bromo-6-chloro-4-methylphenol
SMILESCc1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C7H6BrClO/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChIKeyUACGFKDZXGCYIQ-UHFFFAOYSA-N
MW221.48 g/mol
LogP3.12
Rot. Bonds

About 2-bromo-6-chloro-4-methylphenol

2-bromo-6-chloro-4-methylphenol (PubChem CID 13358044) has the molecular formula C7H6BrClO and a molecular weight of 221.48 g/mol. Its IUPAC name is 2-bromo-6-chloro-4-methylphenol.

Molecular Properties

Compound Name2-bromo-6-chloro-4-methylphenol
PubChem CID13358044
Molecular FormulaC7H6BrClO
Molecular Weight221.48 g/mol
Exact Mass219.93
IUPAC Name2-bromo-6-chloro-4-methylphenol
SMILESCc1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C7H6BrClO/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3
InChIKeyUACGFKDZXGCYIQ-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.48
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-6-chloro-o-cresol
CID 82031
2-Bromo-4-chloro-6-methylphenol
CID 613789
Phenol, 2-bromo-6-chloro-
CID 16268
3-Bromo-5-chloro-4-hydroxybenzonitrile
CID 14556305
2-Bromo-5-chloro-4-methylphenol
CID 39220705
6-Bromo-2-chloro-3-methylphenol
CID 53217010
2-Bromo-4-chloro-6-(trifluoromethyl)phenol
CID 84714198
2,6-dibromo-4-[(E)-2-(3-chlorophenyl)ethenyl]phenol
CID 45257593
2-Bromo-4-[2-(3-bromo-5-chloro-4-hydroxyphenyl)propan-2-yl]-6-chlorophenol
CID 14299720
2-Bromo-6-chloro-4-(trifluoromethyl)phenol
CID 84714200
2-Bromo-6-chloro-4-[(2,6-difluoro-4-hydroxyphenyl)methyl]-3,5-difluorophenol
CID 88356861
3-(3-Bromo-5-chloro-4-hydroxyphenyl)propyl acetate
CID 11278240

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-chloro-4-methylphenol?
The IUPAC name of 2-bromo-6-chloro-4-methylphenol (CID 13358044) is 2-bromo-6-chloro-4-methylphenol.
What is the SMILES notation for 2-bromo-6-chloro-4-methylphenol?
The canonical SMILES for 2-bromo-6-chloro-4-methylphenol is Cc1cc(Cl)c(O)c(Br)c1.
What is the InChIKey of 2-bromo-6-chloro-4-methylphenol?
The InChIKey is UACGFKDZXGCYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClO/c1-4-2-5(8)7(10)6(9)3-4/h2-3,10H,1H3.
What are the key properties of 2-bromo-6-chloro-4-methylphenol?
2-bromo-6-chloro-4-methylphenol has a molecular weight of 221.48 g/mol, XLogP of 3.12, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-chloro-4-methylphenol is sourced from PubChem (CID 13358044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).