6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol

C14H20O — CID 19012738

IUPAC6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol
SMILESC=CCc1c(CC(C)C)ccc(C)c1O
InChIInChI=1S/C14H20O/c1-5-6-13-12(9-10(2)3)8-7-11(4)14(13)15/h5,7-8,10,15H,1,6,9H2,2-4H3
InChIKeyGSTMUOOAHWZNKI-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.63
Rot. Bonds4

About 6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol

6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol (PubChem CID 19012738) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol.

Molecular Properties

Compound Name6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol
PubChem CID19012738
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol
SMILESC=CCc1c(CC(C)C)ccc(C)c1O
InChIInChI=1S/C14H20O/c1-5-6-13-12(9-10(2)3)8-7-11(4)14(13)15/h5,7-8,10,15H,1,6,9H2,2-4H3
InChIKeyGSTMUOOAHWZNKI-UHFFFAOYSA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol?
The IUPAC name of 6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol (CID 19012738) is 6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol.
What is the SMILES notation for 6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol?
The canonical SMILES for 6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol is C=CCc1c(CC(C)C)ccc(C)c1O.
What is the InChIKey of 6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol?
The InChIKey is GSTMUOOAHWZNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-5-6-13-12(9-10(2)3)8-7-11(4)14(13)15/h5,7-8,10,15H,1,6,9H2,2-4H3.
What are the key properties of 6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol?
6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol has a molecular weight of 204.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylpropyl)-2-prop-2-enylphenol is sourced from PubChem (CID 19012738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).