2-bromo-5-pentan-2-ylphenol

C11H15BrO — CID 21321756

IUPAC2-bromo-5-pentan-2-ylphenol
SMILESCCCC(C)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H15BrO/c1-3-4-8(2)9-5-6-10(12)11(13)7-9/h5-8,13H,3-4H2,1-2H3
InChIKeyPXDNMVVLLLKTHP-UHFFFAOYSA-N
MW243.14 g/mol
LogP4.06
Rot. Bonds3

About 2-bromo-5-pentan-2-ylphenol

2-bromo-5-pentan-2-ylphenol (PubChem CID 21321756) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-bromo-5-pentan-2-ylphenol.

Molecular Properties

Compound Name2-bromo-5-pentan-2-ylphenol
PubChem CID21321756
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name2-bromo-5-pentan-2-ylphenol
SMILESCCCC(C)c1ccc(Br)c(O)c1
InChIInChI=1S/C11H15BrO/c1-3-4-8(2)9-5-6-10(12)11(13)7-9/h5-8,13H,3-4H2,1-2H3
InChIKeyPXDNMVVLLLKTHP-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-5-pentan-2-ylphenol 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-methyl-5-pentan-2-ylphenol
CID 130033342
4-hexan-2-ylbenzene-1,2-diol
CID 14595150
5-(1-amino-4-methylpentan-3-yl)-2-bromophenol
CID 84809703
5-(1-amino-2-hydroxypropyl)-2-bromophenol
CID 130041665
4-pentan-2-ylbenzenesulfonamide
CID 134449965
5-butan-2-yl-2-(4-butan-2-yl-2-hydroxyphenyl)phenol
CID 66659271
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164
4-[2,5-di(pentan-2-yl)phenyl]phenol
CID 174791331
5-heptan-4-yl-2-(4-heptan-4-yl-2-hydroxyphenyl)phenol
CID 66659268
4-[(1R)-1-aminobutyl]-2-bromophenol;hydrochloride
CID 171204277
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
2-bromo-3-(4-bromo-3-hydroxyphenyl)-2-methylbutanoic acid
CID 19767383

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-pentan-2-ylphenol?
The IUPAC name of 2-bromo-5-pentan-2-ylphenol (CID 21321756) is 2-bromo-5-pentan-2-ylphenol.
What is the SMILES notation for 2-bromo-5-pentan-2-ylphenol?
The canonical SMILES for 2-bromo-5-pentan-2-ylphenol is CCCC(C)c1ccc(Br)c(O)c1.
What is the InChIKey of 2-bromo-5-pentan-2-ylphenol?
The InChIKey is PXDNMVVLLLKTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-3-4-8(2)9-5-6-10(12)11(13)7-9/h5-8,13H,3-4H2,1-2H3.
What are the key properties of 2-bromo-5-pentan-2-ylphenol?
2-bromo-5-pentan-2-ylphenol has a molecular weight of 243.14 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-pentan-2-ylphenol is sourced from PubChem (CID 21321756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).