2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol

C12H13Cl3O2 — CID 60728681

IUPAC2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol
SMILESOC1CCCCC1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H13Cl3O2/c13-7-5-9(15)12(6-8(7)14)17-11-4-2-1-3-10(11)16/h5-6,10-11,16H,1-4H2
InChIKeyLDERFXZRBDGRRA-UHFFFAOYSA-N
MW295.59 g/mol
LogP4.33
Rot. Bonds2

About 2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol

2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol (PubChem CID 60728681) has the molecular formula C12H13Cl3O2 and a molecular weight of 295.59 g/mol. Its IUPAC name is 2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol
PubChem CID60728681
Molecular FormulaC12H13Cl3O2
Molecular Weight295.59 g/mol
Exact Mass294.00
IUPAC Name2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol
SMILESOC1CCCCC1Oc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C12H13Cl3O2/c13-7-5-9(15)12(6-8(7)14)17-11-4-2-1-3-10(11)16/h5-6,10-11,16H,1-4H2
InChIKeyLDERFXZRBDGRRA-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.59
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
trans-(1S,2S)-2-(4-bromo-2-chlorophenoxy)cyclohexan-1-ol
CID 102732484
2-(2,4,5-trichlorophenoxy)cyclohexane-1-carbonitrile
CID 43292539
[(1R,2S)-2-hydroxycyclohexyl] 2-(2,4,5-trichlorophenoxy)acetate
CID 1019497
2-(4,5-dichloro-2-nitrophenoxy)cyclopentan-1-ol
CID 107501246
trans-(1R,2R)-2-[2-[(1S,2S)-2-hydroxycyclohexyl]oxyphenoxy]cyclohexan-1-ol
CID 139056269
trans-(1S,2S)-2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 102735372
2-(2-chloro-4-phenylphenoxy)cyclopentan-1-ol
CID 60877836
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
2-(2,3-dichlorophenoxy)cyclopentan-1-ol
CID 60878793
5-chloro-2-(2-hydroxycyclohexyl)oxybenzaldehyde
CID 60884420
2-[2-(aminomethyl)-3-chlorophenoxy]cyclohexan-1-ol
CID 114318587

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol?
The IUPAC name of 2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol (CID 60728681) is 2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol.
What is the SMILES notation for 2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol?
The canonical SMILES for 2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol is OC1CCCCC1Oc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol?
The InChIKey is LDERFXZRBDGRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl3O2/c13-7-5-9(15)12(6-8(7)14)17-11-4-2-1-3-10(11)16/h5-6,10-11,16H,1-4H2.
What are the key properties of 2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol?
2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol has a molecular weight of 295.59 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trichlorophenoxy)cyclohexan-1-ol is sourced from PubChem (CID 60728681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).