2-chloro-6-hexan-2-yl-4-methylphenol

C13H19ClO — CID 71385576

IUPAC2-chloro-6-hexan-2-yl-4-methylphenol
SMILESCCCCC(C)c1cc(C)cc(Cl)c1O
InChIInChI=1S/C13H19ClO/c1-4-5-6-10(3)11-7-9(2)8-12(14)13(11)15/h7-8,10,15H,4-6H2,1-3H3
InChIKeyNGTSZTWEWBUWOY-UHFFFAOYSA-N
MW226.75 g/mol
LogP4.65
Rot. Bonds4

About 2-chloro-6-hexan-2-yl-4-methylphenol

2-chloro-6-hexan-2-yl-4-methylphenol (PubChem CID 71385576) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-chloro-6-hexan-2-yl-4-methylphenol.

Molecular Properties

Compound Name2-chloro-6-hexan-2-yl-4-methylphenol
PubChem CID71385576
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name2-chloro-6-hexan-2-yl-4-methylphenol
SMILESCCCCC(C)c1cc(C)cc(Cl)c1O
InChIInChI=1S/C13H19ClO/c1-4-5-6-10(3)11-7-9(2)8-12(14)13(11)15/h7-8,10,15H,4-6H2,1-3H3
InChIKeyNGTSZTWEWBUWOY-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-hexan-2-yl-4-methylphenol?
The IUPAC name of 2-chloro-6-hexan-2-yl-4-methylphenol (CID 71385576) is 2-chloro-6-hexan-2-yl-4-methylphenol.
What is the SMILES notation for 2-chloro-6-hexan-2-yl-4-methylphenol?
The canonical SMILES for 2-chloro-6-hexan-2-yl-4-methylphenol is CCCCC(C)c1cc(C)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-hexan-2-yl-4-methylphenol?
The InChIKey is NGTSZTWEWBUWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-4-5-6-10(3)11-7-9(2)8-12(14)13(11)15/h7-8,10,15H,4-6H2,1-3H3.
What are the key properties of 2-chloro-6-hexan-2-yl-4-methylphenol?
2-chloro-6-hexan-2-yl-4-methylphenol has a molecular weight of 226.75 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-hexan-2-yl-4-methylphenol is sourced from PubChem (CID 71385576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).