2-bromo-6-[(1R)-1-cyclopropylethyl]phenol

C11H13BrO — CID 118899018

IUPAC2-bromo-6-[(1R)-1-cyclopropylethyl]phenol
SMILESC[C@@H](c1cccc(Br)c1O)C1CC1
InChIInChI=1S/C11H13BrO/c1-7(8-5-6-8)9-3-2-4-10(12)11(9)13/h2-4,7-8,13H,5-6H2,1H3/t7-/m1/s1
InChIKeyGQQFIJMAUHGVOF-SSDOTTSWSA-N
MW241.13 g/mol
LogP3.67
Rot. Bonds2

About 2-bromo-6-[(1R)-1-cyclopropylethyl]phenol

2-bromo-6-[(1R)-1-cyclopropylethyl]phenol (PubChem CID 118899018) has the molecular formula C11H13BrO and a molecular weight of 241.13 g/mol. Its IUPAC name is 2-bromo-6-[(1R)-1-cyclopropylethyl]phenol.

Molecular Properties

Compound Name2-bromo-6-[(1R)-1-cyclopropylethyl]phenol
PubChem CID118899018
Molecular FormulaC11H13BrO
Molecular Weight241.13 g/mol
Exact Mass240.01
IUPAC Name2-bromo-6-[(1R)-1-cyclopropylethyl]phenol
SMILESC[C@@H](c1cccc(Br)c1O)C1CC1
InChIInChI=1S/C11H13BrO/c1-7(8-5-6-8)9-3-2-4-10(12)11(9)13/h2-4,7-8,13H,5-6H2,1H3/t7-/m1/s1
InChIKeyGQQFIJMAUHGVOF-SSDOTTSWSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-bromo-6-[(1R)-1-cyclopropylethyl]phenol 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-(1-cyclopropylethyl)-6-(2-hydroxypropan-2-yl)phenol
CID 118899009
2-bromo-6-propan-2-ylphenol
CID 14663965
2-[(1S)-1-cyclopropylethyl]-6-pentan-3-ylphenol
CID 144742852
2-[(2R)-butan-2-yl]-6-[(1R)-1-cyclopropylethyl]phenol;ethane
CID 144742837
2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane
CID 144742888
1-bromo-3-[(1R)-1-cyclopropylethyl]-2-ethoxybenzene
CID 130323975
2-(1-cyclopropylethenyl)-6-[(1R)-1-cyclopropylethyl]phenol
CID 122442091
4-[1-(2-bromophenyl)ethyl]oxane
CID 115050138
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-6-bromophenol;hydrochloride
CID 171267568
2-bromo-6-[(1S)-1-piperazin-1-ylethyl]phenol
CID 131473200
2-[(1S)-1-amino-2,2-difluoroethyl]-6-bromophenol
CID 131151173
3-[1-(2-bromophenyl)ethyl]oxolane
CID 115047473

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(1R)-1-cyclopropylethyl]phenol?
The IUPAC name of 2-bromo-6-[(1R)-1-cyclopropylethyl]phenol (CID 118899018) is 2-bromo-6-[(1R)-1-cyclopropylethyl]phenol.
What is the SMILES notation for 2-bromo-6-[(1R)-1-cyclopropylethyl]phenol?
The canonical SMILES for 2-bromo-6-[(1R)-1-cyclopropylethyl]phenol is C[C@@H](c1cccc(Br)c1O)C1CC1.
What is the InChIKey of 2-bromo-6-[(1R)-1-cyclopropylethyl]phenol?
The InChIKey is GQQFIJMAUHGVOF-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13BrO/c1-7(8-5-6-8)9-3-2-4-10(12)11(9)13/h2-4,7-8,13H,5-6H2,1H3/t7-/m1/s1.
What are the key properties of 2-bromo-6-[(1R)-1-cyclopropylethyl]phenol?
2-bromo-6-[(1R)-1-cyclopropylethyl]phenol has a molecular weight of 241.13 g/mol, XLogP of 3.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(1R)-1-cyclopropylethyl]phenol is sourced from PubChem (CID 118899018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).