6-(2-bromo-4-methylphenoxy)hexan-1-ol

C13H19BrO2 — CID 103801841

IUPAC6-(2-bromo-4-methylphenoxy)hexan-1-ol
SMILESCc1ccc(OCCCCCCO)c(Br)c1
InChIInChI=1S/C13H19BrO2/c1-11-6-7-13(12(14)10-11)16-9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9H2,1H3
InChIKeyFSOGDNRYGKNIRF-UHFFFAOYSA-N
MW287.20 g/mol
LogP3.69
Rot. Bonds7

About 6-(2-bromo-4-methylphenoxy)hexan-1-ol

6-(2-bromo-4-methylphenoxy)hexan-1-ol (PubChem CID 103801841) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is 6-(2-bromo-4-methylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(2-bromo-4-methylphenoxy)hexan-1-ol
PubChem CID103801841
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name6-(2-bromo-4-methylphenoxy)hexan-1-ol
SMILESCc1ccc(OCCCCCCO)c(Br)c1
InChIInChI=1S/C13H19BrO2/c1-11-6-7-13(12(14)10-11)16-9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9H2,1H3
InChIKeyFSOGDNRYGKNIRF-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2-bromo-4-chlorophenoxy)hexan-1-ol
CID 103801828
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653
2-bromo-4-methyl-1-propoxybenzene
CID 21057754
3-(2-bromo-4-methylphenoxy)propanethioamide
CID 28602618
6-[2-[(1S)-1-aminoethyl]-4-methylphenoxy]hexan-1-ol
CID 107702679
2-bromo-4-methyl-1-(3-phenoxypropoxy)benzene
CID 55027204
5-[2-bromo-4-[1-(methylamino)ethyl]phenoxy]pentan-1-ol
CID 114216751
2-bromo-1-[3-(2-methoxyethoxy)propoxy]-4-methylbenzene
CID 103409894
2-bromo-1-[3-(2-methoxyphenoxy)propoxy]-4-methylbenzene
CID 2899283
2-bromo-1-(2-bromoethoxy)-4-methylbenzene;2-bromo-4-methylphenol
CID 161031676
5-[2-(ethylaminomethyl)-4-methylphenoxy]pentan-1-ol
CID 55204167
4-(2-bromo-4-methylphenoxy)-N-(3-methoxypropyl)butan-1-amine
CID 2296576

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methylphenoxy)hexan-1-ol?
The IUPAC name of 6-(2-bromo-4-methylphenoxy)hexan-1-ol (CID 103801841) is 6-(2-bromo-4-methylphenoxy)hexan-1-ol.
What is the SMILES notation for 6-(2-bromo-4-methylphenoxy)hexan-1-ol?
The canonical SMILES for 6-(2-bromo-4-methylphenoxy)hexan-1-ol is Cc1ccc(OCCCCCCO)c(Br)c1.
What is the InChIKey of 6-(2-bromo-4-methylphenoxy)hexan-1-ol?
The InChIKey is FSOGDNRYGKNIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-11-6-7-13(12(14)10-11)16-9-5-3-2-4-8-15/h6-7,10,15H,2-5,8-9H2,1H3.
What are the key properties of 6-(2-bromo-4-methylphenoxy)hexan-1-ol?
6-(2-bromo-4-methylphenoxy)hexan-1-ol has a molecular weight of 287.20 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methylphenoxy)hexan-1-ol is sourced from PubChem (CID 103801841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).