2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol

C13H18O — CID 79334687

IUPAC2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol
SMILESCC(=Cc1c(C)cc(C)cc1C)CO
InChIInChI=1S/C13H18O/c1-9-5-11(3)13(12(4)6-9)7-10(2)8-14/h5-7,14H,8H2,1-4H3
InChIKeyGYASOXDHDGAAPZ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.01
Rot. Bonds2

About 2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol

2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol (PubChem CID 79334687) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol
PubChem CID79334687
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol
SMILESCC(=Cc1c(C)cc(C)cc1C)CO
InChIInChI=1S/C13H18O/c1-9-5-11(3)13(12(4)6-9)7-10(2)8-14/h5-7,14H,8H2,1-4H3
InChIKeyGYASOXDHDGAAPZ-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
The IUPAC name of 2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol (CID 79334687) is 2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol.
What is the SMILES notation for 2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
The canonical SMILES for 2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol is CC(=Cc1c(C)cc(C)cc1C)CO.
What is the InChIKey of 2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
The InChIKey is GYASOXDHDGAAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-9-5-11(3)13(12(4)6-9)7-10(2)8-14/h5-7,14H,8H2,1-4H3.
What are the key properties of 2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol?
2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol has a molecular weight of 190.29 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,4,6-trimethylphenyl)prop-2-en-1-ol is sourced from PubChem (CID 79334687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).