6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol

C14H21BrO2 — CID 107723451

IUPAC6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
SMILESCc1cc(OCCCCCCO)cc(C)c1Br
InChIInChI=1S/C14H21BrO2/c1-11-9-13(10-12(2)14(11)15)17-8-6-4-3-5-7-16/h9-10,16H,3-8H2,1-2H3
InChIKeyDMIRCLVNPLJEBT-UHFFFAOYSA-N
MW301.22 g/mol
LogP4.00
Rot. Bonds7

About 6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol

6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol (PubChem CID 107723451) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
PubChem CID107723451
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol
SMILESCc1cc(OCCCCCCO)cc(C)c1Br
InChIInChI=1S/C14H21BrO2/c1-11-9-13(10-12(2)14(11)15)17-8-6-4-3-5-7-16/h9-10,16H,3-8H2,1-2H3
InChIKeyDMIRCLVNPLJEBT-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-(4-bromo-3,5-dimethylphenoxy)hexan-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-bromo-1,3-dimethyl-5-(4-methylpentoxy)benzene
CID 107723972
(2S)-4-(4-bromo-3,5-dimethylphenoxy)butan-2-ol
CID 129387597
5-(4-bromo-3,5-dimethylphenoxy)-N-(2-methylpropyl)pentan-1-amine
CID 107726323
2-bromo-1,3-dimethyl-5-(4-phenylbutoxy)benzene
CID 107723846
3-(4-bromo-3,5-dimethylphenoxy)propanoic acid;ethane
CID 144562870
3-(4-bromo-3,5-dimethylphenoxy)-N-ethylpropan-1-amine
CID 92922065
3-(4-bromo-3,5-dimethylphenoxy)propanamide
CID 107723524
4-(4-bromo-3,5-dimethylphenoxy)-N-(2-methoxyethyl)butan-1-amine
CID 107726759
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
2-bromo-1,3-dimethyl-5-(3,3,3-trifluoropropoxy)benzene
CID 107723472
3-(4-bromo-3,5-dimethylphenoxy)propane-1-sulfonyl chloride
CID 107727027
6-(4-bromo-3,5-dimethylphenoxy)-2,2-dimethylhexanimidamide
CID 107724712

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol?
The IUPAC name of 6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol (CID 107723451) is 6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol.
What is the SMILES notation for 6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol?
The canonical SMILES for 6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol is Cc1cc(OCCCCCCO)cc(C)c1Br.
What is the InChIKey of 6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol?
The InChIKey is DMIRCLVNPLJEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-11-9-13(10-12(2)14(11)15)17-8-6-4-3-5-7-16/h9-10,16H,3-8H2,1-2H3.
What are the key properties of 6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol?
6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol has a molecular weight of 301.22 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3,5-dimethylphenoxy)hexan-1-ol is sourced from PubChem (CID 107723451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).