6-(4-bromo-3-ethylphenoxy)hexan-1-ol

C14H21BrO2 — CID 166107935

IUPAC6-(4-bromo-3-ethylphenoxy)hexan-1-ol
SMILESCCc1cc(OCCCCCCO)ccc1Br
InChIInChI=1S/C14H21BrO2/c1-2-12-11-13(7-8-14(12)15)17-10-6-4-3-5-9-16/h7-8,11,16H,2-6,9-10H2,1H3
InChIKeyXNRHRQKKFBAMSL-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.94
Rot. Bonds8

About 6-(4-bromo-3-ethylphenoxy)hexan-1-ol

6-(4-bromo-3-ethylphenoxy)hexan-1-ol (PubChem CID 166107935) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 6-(4-bromo-3-ethylphenoxy)hexan-1-ol.

Molecular Properties

Compound Name6-(4-bromo-3-ethylphenoxy)hexan-1-ol
PubChem CID166107935
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name6-(4-bromo-3-ethylphenoxy)hexan-1-ol
SMILESCCc1cc(OCCCCCCO)ccc1Br
InChIInChI=1S/C14H21BrO2/c1-2-12-11-13(7-8-14(12)15)17-10-6-4-3-5-9-16/h7-8,11,16H,2-6,9-10H2,1H3
InChIKeyXNRHRQKKFBAMSL-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.94
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-[4-bromo-3-[(tert-butylamino)methyl]phenoxy]hexan-1-ol
CID 107702759
2-(4-bromo-3-ethylphenoxy)acetic acid
CID 14207512
11-[6-(11-hydroxyundecoxy)naphthalen-2-yl]oxyundecan-1-ol
CID 86182037
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
4-(6-ethoxynaphthalen-2-yl)oxybutan-1-ol
CID 126699424
1-bromo-2-(bromomethyl)-4-(4-methoxybutoxy)benzene
CID 104648132
2-ethyl-4-hexoxy-1-methylbenzene
CID 143189460
3-(3,4-diheptylphenoxy)propan-1-ol
CID 21351892
2-bromo-5-hexoxybenzoyl chloride
CID 142644449
4-[6-(2-hydroxyethoxy)naphthalen-2-yl]oxybutan-1-ol
CID 138483629
11-(4-methylphenoxy)undecan-1-ol
CID 67541960

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-ethylphenoxy)hexan-1-ol?
The IUPAC name of 6-(4-bromo-3-ethylphenoxy)hexan-1-ol (CID 166107935) is 6-(4-bromo-3-ethylphenoxy)hexan-1-ol.
What is the SMILES notation for 6-(4-bromo-3-ethylphenoxy)hexan-1-ol?
The canonical SMILES for 6-(4-bromo-3-ethylphenoxy)hexan-1-ol is CCc1cc(OCCCCCCO)ccc1Br.
What is the InChIKey of 6-(4-bromo-3-ethylphenoxy)hexan-1-ol?
The InChIKey is XNRHRQKKFBAMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-2-12-11-13(7-8-14(12)15)17-10-6-4-3-5-9-16/h7-8,11,16H,2-6,9-10H2,1H3.
What are the key properties of 6-(4-bromo-3-ethylphenoxy)hexan-1-ol?
6-(4-bromo-3-ethylphenoxy)hexan-1-ol has a molecular weight of 301.22 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-ethylphenoxy)hexan-1-ol is sourced from PubChem (CID 166107935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).