2-butan-2-yl-5-tert-butyl-4-chlorophenol

C14H21ClO — CID 118092252

IUPAC2-butan-2-yl-5-tert-butyl-4-chlorophenol
SMILESCCC(C)c1cc(Cl)c(C(C)(C)C)cc1O
InChIInChI=1S/C14H21ClO/c1-6-9(2)10-7-12(15)11(8-13(10)16)14(3,4)5/h7-9,16H,6H2,1-5H3
InChIKeyNBPQDPIRCILSAC-UHFFFAOYSA-N
MW240.77 g/mol
LogP4.86
Rot. Bonds2

About 2-butan-2-yl-5-tert-butyl-4-chlorophenol

2-butan-2-yl-5-tert-butyl-4-chlorophenol (PubChem CID 118092252) has the molecular formula C14H21ClO and a molecular weight of 240.77 g/mol. Its IUPAC name is 2-butan-2-yl-5-tert-butyl-4-chlorophenol.

Molecular Properties

Compound Name2-butan-2-yl-5-tert-butyl-4-chlorophenol
PubChem CID118092252
Molecular FormulaC14H21ClO
Molecular Weight240.77 g/mol
Exact Mass240.13
IUPAC Name2-butan-2-yl-5-tert-butyl-4-chlorophenol
SMILESCCC(C)c1cc(Cl)c(C(C)(C)C)cc1O
InChIInChI=1S/C14H21ClO/c1-6-9(2)10-7-12(15)11(8-13(10)16)14(3,4)5/h7-9,16H,6H2,1-5H3
InChIKeyNBPQDPIRCILSAC-UHFFFAOYSA-N
XLogP4.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-tert-butyl-4-chlorophenol?
The IUPAC name of 2-butan-2-yl-5-tert-butyl-4-chlorophenol (CID 118092252) is 2-butan-2-yl-5-tert-butyl-4-chlorophenol.
What is the SMILES notation for 2-butan-2-yl-5-tert-butyl-4-chlorophenol?
The canonical SMILES for 2-butan-2-yl-5-tert-butyl-4-chlorophenol is CCC(C)c1cc(Cl)c(C(C)(C)C)cc1O.
What is the InChIKey of 2-butan-2-yl-5-tert-butyl-4-chlorophenol?
The InChIKey is NBPQDPIRCILSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO/c1-6-9(2)10-7-12(15)11(8-13(10)16)14(3,4)5/h7-9,16H,6H2,1-5H3.
What are the key properties of 2-butan-2-yl-5-tert-butyl-4-chlorophenol?
2-butan-2-yl-5-tert-butyl-4-chlorophenol has a molecular weight of 240.77 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-tert-butyl-4-chlorophenol is sourced from PubChem (CID 118092252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).