2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol

C16H18BrClO2 — CID 160772979

IUPAC2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol
SMILESCC(C)c1cccc(Br)c1O.Cc1cccc(Cl)c1O
InChIInChI=1S/C9H11BrO.C7H7ClO/c1-6(2)7-4-3-5-8(10)9(7)11;1-5-3-2-4-6(8)7(5)9/h3-6,11H,1-2H3;2-4,9H,1H3
InChIKeyRZOHIQNJSGOKCL-UHFFFAOYSA-N
MW357.68 g/mol
LogP5.63
Rot. Bonds1

About 2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol

2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol (PubChem CID 160772979) has the molecular formula C16H18BrClO2 and a molecular weight of 357.68 g/mol. Its IUPAC name is 2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol.

Molecular Properties

Compound Name2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol
PubChem CID160772979
Molecular FormulaC16H18BrClO2
Molecular Weight357.68 g/mol
Exact Mass356.02
IUPAC Name2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol
SMILESCC(C)c1cccc(Br)c1O.Cc1cccc(Cl)c1O
InChIInChI=1S/C9H11BrO.C7H7ClO/c1-6(2)7-4-3-5-8(10)9(7)11;1-5-3-2-4-6(8)7(5)9/h3-6,11H,1-2H3;2-4,9H,1H3
InChIKeyRZOHIQNJSGOKCL-UHFFFAOYSA-N
XLogP5.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.68
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol 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

2-bromo-6-propan-2-ylphenol
CID 14663965
2-chloro-6-methylphenol;yttrium
CID 178141464
2,6-di(propan-2-yl)phenol;silver
CID 174803720
1-chloro-2-propan-2-ylbenzene;methane;1-methyl-2-propan-2-ylbenzene
CID 158048784
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
2-bromo-6-[(1R)-1-cyclopropylethyl]phenol
CID 118899018
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
2-chlorophenol;2-propan-2-ylphenol
CID 67592486
5-methyl-2-propan-2-ylnaphthalen-1-ol
CID 139817712
2-bromo-3-propan-2-ylphenol
CID 23114133
1-chloro-3-methyl-2-propan-2-ylbenzene
CID 20768951

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol?
The IUPAC name of 2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol (CID 160772979) is 2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol.
What is the SMILES notation for 2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol?
The canonical SMILES for 2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol is CC(C)c1cccc(Br)c1O.Cc1cccc(Cl)c1O.
What is the InChIKey of 2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol?
The InChIKey is RZOHIQNJSGOKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO.C7H7ClO/c1-6(2)7-4-3-5-8(10)9(7)11;1-5-3-2-4-6(8)7(5)9/h3-6,11H,1-2H3;2-4,9H,1H3.
What are the key properties of 2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol?
2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol has a molecular weight of 357.68 g/mol, XLogP of 5.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-propan-2-ylphenol;2-chloro-6-methylphenol is sourced from PubChem (CID 160772979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).