4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol

C18H21ClO — CID 89028938

IUPAC4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol
SMILESCc1cc(-c2c(C)c(C)c(O)c(C)c2C)c(C)cc1Cl
InChIInChI=1S/C18H21ClO/c1-9-8-16(19)10(2)7-15(9)17-11(3)13(5)18(20)14(6)12(17)4/h7-8,20H,1-6H3
InChIKeyRAYGZEXHQFGYLK-UHFFFAOYSA-N
MW288.82 g/mol
LogP5.56
Rot. Bonds1

About 4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol

4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol (PubChem CID 89028938) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol.

Molecular Properties

Compound Name4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol
PubChem CID89028938
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol
SMILESCc1cc(-c2c(C)c(C)c(O)c(C)c2C)c(C)cc1Cl
InChIInChI=1S/C18H21ClO/c1-9-8-16(19)10(2)7-15(9)17-11(3)13(5)18(20)14(6)12(17)4/h7-8,20H,1-6H3
InChIKeyRAYGZEXHQFGYLK-UHFFFAOYSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.82
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol?
The IUPAC name of 4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol (CID 89028938) is 4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol.
What is the SMILES notation for 4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol?
The canonical SMILES for 4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol is Cc1cc(-c2c(C)c(C)c(O)c(C)c2C)c(C)cc1Cl.
What is the InChIKey of 4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol?
The InChIKey is RAYGZEXHQFGYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-9-8-16(19)10(2)7-15(9)17-11(3)13(5)18(20)14(6)12(17)4/h7-8,20H,1-6H3.
What are the key properties of 4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol?
4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol has a molecular weight of 288.82 g/mol, XLogP of 5.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,5-dimethylphenyl)-2,3,5,6-tetramethylphenol is sourced from PubChem (CID 89028938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).