1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol

C18H22O — CID 62801838

IUPAC1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C18H22O/c1-12-6-9-17(15(4)10-12)18(5,19)16-8-7-13(2)14(3)11-16/h6-11,19H,1-5H3
InChIKeyOZIYWFRBUCFFJV-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.18
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol

1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol (PubChem CID 62801838) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol
PubChem CID62801838
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(C)(O)c2ccc(C)c(C)c2)c(C)c1
InChIInChI=1S/C18H22O/c1-12-6-9-17(15(4)10-12)18(5,19)16-8-7-13(2)14(3)11-16/h6-11,19H,1-5H3
InChIKeyOZIYWFRBUCFFJV-UHFFFAOYSA-N
XLogP4.18
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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol?
The IUPAC name of 1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol (CID 62801838) is 1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol is Cc1ccc(C(C)(O)c2ccc(C)c(C)c2)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol?
The InChIKey is OZIYWFRBUCFFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-12-6-9-17(15(4)10-12)18(5,19)16-8-7-13(2)14(3)11-16/h6-11,19H,1-5H3.
What are the key properties of 1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol?
1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol has a molecular weight of 254.37 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-1-(3,4-dimethylphenyl)ethanol is sourced from PubChem (CID 62801838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).