2-(5-bromo-2,3-dimethylphenyl)propan-1-ol

C11H15BrO — CID 117359066

IUPAC2-(5-bromo-2,3-dimethylphenyl)propan-1-ol
SMILESCc1cc(Br)cc(C(C)CO)c1C
InChIInChI=1S/C11H15BrO/c1-7-4-10(12)5-11(9(7)3)8(2)6-13/h4-5,8,13H,6H2,1-3H3
InChIKeyKCMDSBINSAPAEA-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.16
Rot. Bonds2

About 2-(5-bromo-2,3-dimethylphenyl)propan-1-ol

2-(5-bromo-2,3-dimethylphenyl)propan-1-ol (PubChem CID 117359066) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-(5-bromo-2,3-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(5-bromo-2,3-dimethylphenyl)propan-1-ol
PubChem CID117359066
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name2-(5-bromo-2,3-dimethylphenyl)propan-1-ol
SMILESCc1cc(Br)cc(C(C)CO)c1C
InChIInChI=1S/C11H15BrO/c1-7-4-10(12)5-11(9(7)3)8(2)6-13/h4-5,8,13H,6H2,1-3H3
InChIKeyKCMDSBINSAPAEA-UHFFFAOYSA-N
XLogP3.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-bromo-2,3-dimethylphenyl)propan-1-ol 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-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
2-(5-bromo-2-fluorophenyl)propan-1-ol
CID 82972861
2-[(1R)-1-amino-2-hydroxyethyl]-4-bromo-6-methylphenol
CID 66515433
2-(2-bromo-3-methylphenyl)propan-1-ol
CID 117329757
4-bromo-3-(1-hydroxypropan-2-yl)-2,6-dimethylphenol
CID 117401010
2-[(1R)-1-aminoethyl]-4-bromo-6-methylphenol
CID 130722387
2-(2-chloro-4-methylphenyl)propan-1-ol
CID 117279955
(2S)-2-(3-bromo-5-fluorophenyl)propan-1-ol
CID 118056013
2-[(1S)-1-aminoethyl]-4-bromo-6-methylphenol;hydrochloride
CID 171253771
5-bromo-1-fluoro-2,3-dimethylbenzene;ethane
CID 171643506
2-(3-bromo-2-methoxy-4-methylphenyl)propan-1-ol
CID 117401030
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2,3-dimethylphenyl)propan-1-ol?
The IUPAC name of 2-(5-bromo-2,3-dimethylphenyl)propan-1-ol (CID 117359066) is 2-(5-bromo-2,3-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 2-(5-bromo-2,3-dimethylphenyl)propan-1-ol?
The canonical SMILES for 2-(5-bromo-2,3-dimethylphenyl)propan-1-ol is Cc1cc(Br)cc(C(C)CO)c1C.
What is the InChIKey of 2-(5-bromo-2,3-dimethylphenyl)propan-1-ol?
The InChIKey is KCMDSBINSAPAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-7-4-10(12)5-11(9(7)3)8(2)6-13/h4-5,8,13H,6H2,1-3H3.
What are the key properties of 2-(5-bromo-2,3-dimethylphenyl)propan-1-ol?
2-(5-bromo-2,3-dimethylphenyl)propan-1-ol has a molecular weight of 243.14 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2,3-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 117359066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).