2,3-ditert-butyl-6-(chloromethyl)phenol

C15H23ClO — CID 141290648

IUPAC2,3-ditert-butyl-6-(chloromethyl)phenol
SMILESCC(C)(C)c1ccc(CCl)c(O)c1C(C)(C)C
InChIInChI=1S/C15H23ClO/c1-14(2,3)11-8-7-10(9-16)13(17)12(11)15(4,5)6/h7-8,17H,9H2,1-6H3
InChIKeyOTZSNYKELUUCIN-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.73
Rot. Bonds1

About 2,3-ditert-butyl-6-(chloromethyl)phenol

2,3-ditert-butyl-6-(chloromethyl)phenol (PubChem CID 141290648) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is 2,3-ditert-butyl-6-(chloromethyl)phenol.

Molecular Properties

Compound Name2,3-ditert-butyl-6-(chloromethyl)phenol
PubChem CID141290648
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name2,3-ditert-butyl-6-(chloromethyl)phenol
SMILESCC(C)(C)c1ccc(CCl)c(O)c1C(C)(C)C
InChIInChI=1S/C15H23ClO/c1-14(2,3)11-8-7-10(9-16)13(17)12(11)15(4,5)6/h7-8,17H,9H2,1-6H3
InChIKeyOTZSNYKELUUCIN-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-ditert-butyl-6-(chloromethyl)phenol?
The IUPAC name of 2,3-ditert-butyl-6-(chloromethyl)phenol (CID 141290648) is 2,3-ditert-butyl-6-(chloromethyl)phenol.
What is the SMILES notation for 2,3-ditert-butyl-6-(chloromethyl)phenol?
The canonical SMILES for 2,3-ditert-butyl-6-(chloromethyl)phenol is CC(C)(C)c1ccc(CCl)c(O)c1C(C)(C)C.
What is the InChIKey of 2,3-ditert-butyl-6-(chloromethyl)phenol?
The InChIKey is OTZSNYKELUUCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c1-14(2,3)11-8-7-10(9-16)13(17)12(11)15(4,5)6/h7-8,17H,9H2,1-6H3.
What are the key properties of 2,3-ditert-butyl-6-(chloromethyl)phenol?
2,3-ditert-butyl-6-(chloromethyl)phenol has a molecular weight of 254.80 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-ditert-butyl-6-(chloromethyl)phenol is sourced from PubChem (CID 141290648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).