4-chloro-2-(6-chlorohexyl)phenol

C12H16Cl2O — CID 139899855

IUPAC4-chloro-2-(6-chlorohexyl)phenol
SMILESOc1ccc(Cl)cc1CCCCCCCl
InChIInChI=1S/C12H16Cl2O/c13-8-4-2-1-3-5-10-9-11(14)6-7-12(10)15/h6-7,9,15H,1-5,8H2
InChIKeySADKNLZZDYZZPB-UHFFFAOYSA-N
MW247.16 g/mol
LogP4.39
Rot. Bonds6

About 4-chloro-2-(6-chlorohexyl)phenol

4-chloro-2-(6-chlorohexyl)phenol (PubChem CID 139899855) has the molecular formula C12H16Cl2O and a molecular weight of 247.16 g/mol. Its IUPAC name is 4-chloro-2-(6-chlorohexyl)phenol.

Molecular Properties

Compound Name4-chloro-2-(6-chlorohexyl)phenol
PubChem CID139899855
Molecular FormulaC12H16Cl2O
Molecular Weight247.16 g/mol
Exact Mass246.06
IUPAC Name4-chloro-2-(6-chlorohexyl)phenol
SMILESOc1ccc(Cl)cc1CCCCCCCl
InChIInChI=1S/C12H16Cl2O/c13-8-4-2-1-3-5-10-9-11(14)6-7-12(10)15/h6-7,9,15H,1-5,8H2
InChIKeySADKNLZZDYZZPB-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.16
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-4-chlorophenol;4-chloro-2-methylphenol
CID 69346609
2-(2-aminooxyethyl)-4-chlorophenol
CID 117280923
2-(bromomethyl)-4-chlorophenol
CID 67740326
4-chloro-N-[(5-chloro-2-hydroxyphenyl)methyl]butanamide
CID 82110368
4-chloro-2-[3-[dimethyl(trimethylsilyloxy)silyl]propyl]phenol
CID 23541398
4-chloro-2-(3-chloropropyl)-1-methylbenzene
CID 118805729
5-chloro-2-dodecylphenol
CID 102279992
4-chloro-2-hexylphenol;4-chloro-2-pentan-2-ylphenol;4-chlorophenol
CID 158853391
4-chloro-2-[[5-chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxyphenyl]methyl]-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol
CID 12772656
4-chloro-2-(2-methylprop-2-enyl)phenol
CID 57370913
4-chloro-2-[2-(dipropylamino)ethyl]phenol
CID 10491251
4-chloro-2-[(dipropylamino)methyl]phenol
CID 82977690

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6-chlorohexyl)phenol?
The IUPAC name of 4-chloro-2-(6-chlorohexyl)phenol (CID 139899855) is 4-chloro-2-(6-chlorohexyl)phenol.
What is the SMILES notation for 4-chloro-2-(6-chlorohexyl)phenol?
The canonical SMILES for 4-chloro-2-(6-chlorohexyl)phenol is Oc1ccc(Cl)cc1CCCCCCCl.
What is the InChIKey of 4-chloro-2-(6-chlorohexyl)phenol?
The InChIKey is SADKNLZZDYZZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2O/c13-8-4-2-1-3-5-10-9-11(14)6-7-12(10)15/h6-7,9,15H,1-5,8H2.
What are the key properties of 4-chloro-2-(6-chlorohexyl)phenol?
4-chloro-2-(6-chlorohexyl)phenol has a molecular weight of 247.16 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6-chlorohexyl)phenol is sourced from PubChem (CID 139899855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).