4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol

C18H22O — CID 142842410

IUPAC4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol
SMILESCc1cc(C)cc(C(C)c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C18H22O/c1-11-6-12(2)8-16(7-11)15(5)17-9-13(3)18(19)14(4)10-17/h6-10,15,19H,1-5H3
InChIKeyZRHATASNTAGWCO-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.78
Rot. Bonds2

About 4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol

4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol (PubChem CID 142842410) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol
PubChem CID142842410
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol
SMILESCc1cc(C)cc(C(C)c2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C18H22O/c1-11-6-12(2)8-16(7-11)15(5)17-9-13(3)18(19)14(4)10-17/h6-10,15,19H,1-5H3
InChIKeyZRHATASNTAGWCO-UHFFFAOYSA-N
XLogP4.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol?
The IUPAC name of 4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol (CID 142842410) is 4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol is Cc1cc(C)cc(C(C)c2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol?
The InChIKey is ZRHATASNTAGWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-11-6-12(2)8-16(7-11)15(5)17-9-13(3)18(19)14(4)10-17/h6-10,15,19H,1-5H3.
What are the key properties of 4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol?
4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol has a molecular weight of 254.37 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol is sourced from PubChem (CID 142842410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).