2-[6-(4-chlorophenyl)hexoxy]ethanol

C14H21ClO2 — CID 54545244

IUPAC2-[6-(4-chlorophenyl)hexoxy]ethanol
SMILESOCCOCCCCCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClO2/c15-14-8-6-13(7-9-14)5-3-1-2-4-11-17-12-10-16/h6-9,16H,1-5,10-12H2
InChIKeyZGBOAQZVUKPANK-UHFFFAOYSA-N
MW256.77 g/mol
LogP3.45
Rot. Bonds9

About 2-[6-(4-chlorophenyl)hexoxy]ethanol

2-[6-(4-chlorophenyl)hexoxy]ethanol (PubChem CID 54545244) has the molecular formula C14H21ClO2 and a molecular weight of 256.77 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)hexoxy]ethanol.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)hexoxy]ethanol
PubChem CID54545244
Molecular FormulaC14H21ClO2
Molecular Weight256.77 g/mol
Exact Mass256.12
IUPAC Name2-[6-(4-chlorophenyl)hexoxy]ethanol
SMILESOCCOCCCCCCc1ccc(Cl)cc1
InChIInChI=1S/C14H21ClO2/c15-14-8-6-13(7-9-14)5-3-1-2-4-11-17-12-10-16/h6-9,16H,1-5,10-12H2
InChIKeyZGBOAQZVUKPANK-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.77
LogP ≤ 53.45
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

1-chloro-4-(7-hexoxyheptyl)benzene
CID 54103905
2-[5-(4-methylphenyl)pentoxy]ethanol
CID 57171652
2-[6-(4-chlorophenyl)hexoxy]ethyl trifluoromethanesulfonate
CID 57235190
6-(4-chlorophenyl)hexyl acetate
CID 139787467
2-(2-hydroxyethoxy)ethanol;4-octylphenol
CID 158887559
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
CID 141394605
2-[8-(2-hydroxyethoxy)octoxy]ethanol
CID 174919525
8-(8-phenyloctoxy)octylbenzene
CID 56628536
2-[2-[2-[4-[3-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]propyl]phenoxy]ethoxy]ethoxy]ethanol
CID 57157923
N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide
CID 110678230
2-[2-[2-(4-undecylphenoxy)ethoxy]ethoxy]ethanol
CID 139672885
1-(10-bromodecyl)-4-chlorobenzene
CID 10782757

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)hexoxy]ethanol?
The IUPAC name of 2-[6-(4-chlorophenyl)hexoxy]ethanol (CID 54545244) is 2-[6-(4-chlorophenyl)hexoxy]ethanol.
What is the SMILES notation for 2-[6-(4-chlorophenyl)hexoxy]ethanol?
The canonical SMILES for 2-[6-(4-chlorophenyl)hexoxy]ethanol is OCCOCCCCCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[6-(4-chlorophenyl)hexoxy]ethanol?
The InChIKey is ZGBOAQZVUKPANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO2/c15-14-8-6-13(7-9-14)5-3-1-2-4-11-17-12-10-16/h6-9,16H,1-5,10-12H2.
What are the key properties of 2-[6-(4-chlorophenyl)hexoxy]ethanol?
2-[6-(4-chlorophenyl)hexoxy]ethanol has a molecular weight of 256.77 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)hexoxy]ethanol is sourced from PubChem (CID 54545244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).