2-(2-chlorophenoxy)-5-hexylphenol

C18H21ClO2 — CID 86302364

IUPAC2-(2-chlorophenoxy)-5-hexylphenol
SMILESCCCCCCc1ccc(Oc2ccccc2Cl)c(O)c1
InChIInChI=1S/C18H21ClO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8H2,1H3
InChIKeyQXCNLBOWURGQPC-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.96
Rot. Bonds7

About 2-(2-chlorophenoxy)-5-hexylphenol

2-(2-chlorophenoxy)-5-hexylphenol (PubChem CID 86302364) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-5-hexylphenol.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-5-hexylphenol
PubChem CID86302364
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name2-(2-chlorophenoxy)-5-hexylphenol
SMILESCCCCCCc1ccc(Oc2ccccc2Cl)c(O)c1
InChIInChI=1S/C18H21ClO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8H2,1H3
InChIKeyQXCNLBOWURGQPC-UHFFFAOYSA-N
XLogP5.96
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.96
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-5-hexylphenol?
The IUPAC name of 2-(2-chlorophenoxy)-5-hexylphenol (CID 86302364) is 2-(2-chlorophenoxy)-5-hexylphenol.
What is the SMILES notation for 2-(2-chlorophenoxy)-5-hexylphenol?
The canonical SMILES for 2-(2-chlorophenoxy)-5-hexylphenol is CCCCCCc1ccc(Oc2ccccc2Cl)c(O)c1.
What is the InChIKey of 2-(2-chlorophenoxy)-5-hexylphenol?
The InChIKey is QXCNLBOWURGQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-2-3-4-5-8-14-11-12-18(16(20)13-14)21-17-10-7-6-9-15(17)19/h6-7,9-13,20H,2-5,8H2,1H3.
What are the key properties of 2-(2-chlorophenoxy)-5-hexylphenol?
2-(2-chlorophenoxy)-5-hexylphenol has a molecular weight of 304.82 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-5-hexylphenol is sourced from PubChem (CID 86302364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).