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

C13H18O — CID 62801339

IUPAC1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(C)(O)C2CC2)c(C)c1
InChIInChI=1S/C13H18O/c1-9-4-7-12(10(2)8-9)13(3,14)11-5-6-11/h4,7-8,11,14H,5-6H2,1-3H3
InChIKeyFKQZEYYELZXAJE-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.92
Rot. Bonds2

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

1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol (PubChem CID 62801339) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol
PubChem CID62801339
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol
SMILESCc1ccc(C(C)(O)C2CC2)c(C)c1
InChIInChI=1S/C13H18O/c1-9-4-7-12(10(2)8-9)13(3,14)11-5-6-11/h4,7-8,11,14H,5-6H2,1-3H3
InChIKeyFKQZEYYELZXAJE-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol?
The IUPAC name of 1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol (CID 62801339) is 1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol.
What is the SMILES notation for 1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol?
The canonical SMILES for 1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol is Cc1ccc(C(C)(O)C2CC2)c(C)c1.
What is the InChIKey of 1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol?
The InChIKey is FKQZEYYELZXAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-4-7-12(10(2)8-9)13(3,14)11-5-6-11/h4,7-8,11,14H,5-6H2,1-3H3.
What are the key properties of 1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol?
1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol has a molecular weight of 190.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(2,4-dimethylphenyl)ethanol is sourced from PubChem (CID 62801339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).