5-(2,4,6-trichlorophenoxy)pentan-1-ol

C11H13Cl3O2 — CID 62229545

IUPAC5-(2,4,6-trichlorophenoxy)pentan-1-ol
SMILESOCCCCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl3O2/c12-8-6-9(13)11(10(14)7-8)16-5-3-1-2-4-15/h6-7,15H,1-5H2
InChIKeyHGIHNXLDWKOEMJ-UHFFFAOYSA-N
MW283.58 g/mol
LogP4.19
Rot. Bonds6

About 5-(2,4,6-trichlorophenoxy)pentan-1-ol

5-(2,4,6-trichlorophenoxy)pentan-1-ol (PubChem CID 62229545) has the molecular formula C11H13Cl3O2 and a molecular weight of 283.58 g/mol. Its IUPAC name is 5-(2,4,6-trichlorophenoxy)pentan-1-ol.

Molecular Properties

Compound Name5-(2,4,6-trichlorophenoxy)pentan-1-ol
PubChem CID62229545
Molecular FormulaC11H13Cl3O2
Molecular Weight283.58 g/mol
Exact Mass282.00
IUPAC Name5-(2,4,6-trichlorophenoxy)pentan-1-ol
SMILESOCCCCCOc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl3O2/c12-8-6-9(13)11(10(14)7-8)16-5-3-1-2-4-15/h6-7,15H,1-5H2
InChIKeyHGIHNXLDWKOEMJ-UHFFFAOYSA-N
XLogP4.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.58
LogP ≤ 54.19
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

1,3,5-trichloro-2-(6-chlorohexoxy)benzene
CID 63500210
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
5-[2,4-dichloro-6-[(cyclopropylamino)methyl]phenoxy]pentan-1-ol
CID 62227671
3,5-dichloro-4-[3-(2,4,6-trichlorophenoxy)propoxy]phenol
CID 54396483
4-[2-[(tert-butylamino)methyl]-4,6-dichlorophenoxy]butan-1-ol
CID 63057974
3-(2,4,6-trichlorophenoxy)propan-1-amine
CID 10060902
5-(2,4,6-trichlorophenoxy)pentanethioamide
CID 54966446
[3,5-dichloro-4-(6-chlorohexoxy)phenyl]methanol
CID 86080644
oxalic acid;2-[3-(2,4,6-trichlorophenoxy)propylamino]ethanol
CID 2865543
1,3,5-trichloro-2-(4-methylsulfonylbutoxy)benzene
CID 71968632
6-[2,3,5,6-tetrafluoro-4-(6-hydroxyhexoxy)phenoxy]hexan-1-ol
CID 177082644

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trichlorophenoxy)pentan-1-ol?
The IUPAC name of 5-(2,4,6-trichlorophenoxy)pentan-1-ol (CID 62229545) is 5-(2,4,6-trichlorophenoxy)pentan-1-ol.
What is the SMILES notation for 5-(2,4,6-trichlorophenoxy)pentan-1-ol?
The canonical SMILES for 5-(2,4,6-trichlorophenoxy)pentan-1-ol is OCCCCCOc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 5-(2,4,6-trichlorophenoxy)pentan-1-ol?
The InChIKey is HGIHNXLDWKOEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3O2/c12-8-6-9(13)11(10(14)7-8)16-5-3-1-2-4-15/h6-7,15H,1-5H2.
What are the key properties of 5-(2,4,6-trichlorophenoxy)pentan-1-ol?
5-(2,4,6-trichlorophenoxy)pentan-1-ol has a molecular weight of 283.58 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trichlorophenoxy)pentan-1-ol is sourced from PubChem (CID 62229545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).