1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol

C13H18O — CID 79332918

IUPAC1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol
SMILESCCC1CC1(O)c1ccc(C)cc1C
InChIInChI=1S/C13H18O/c1-4-11-8-13(11,14)12-6-5-9(2)7-10(12)3/h5-7,11,14H,4,8H2,1-3H3
InChIKeyDJBUBCHDHFOKQC-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.92
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol

1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol (PubChem CID 79332918) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol
PubChem CID79332918
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol
SMILESCCC1CC1(O)c1ccc(C)cc1C
InChIInChI=1S/C13H18O/c1-4-11-8-13(11,14)12-6-5-9(2)7-10(12)3/h5-7,11,14H,4,8H2,1-3H3
InChIKeyDJBUBCHDHFOKQC-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-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol?
The IUPAC name of 1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol (CID 79332918) is 1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol?
The canonical SMILES for 1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol is CCC1CC1(O)c1ccc(C)cc1C.
What is the InChIKey of 1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol?
The InChIKey is DJBUBCHDHFOKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-4-11-8-13(11,14)12-6-5-9(2)7-10(12)3/h5-7,11,14H,4,8H2,1-3H3.
What are the key properties of 1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol?
1-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol 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-(2,4-dimethylphenyl)-2-ethylcyclopropan-1-ol is sourced from PubChem (CID 79332918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).