6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol

C16H22O — CID 19877287

IUPAC6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol
SMILESC=CCc1c(CCC)ccc(CC(=C)C)c1O
InChIInChI=1S/C16H22O/c1-5-7-13-9-10-14(11-12(3)4)16(17)15(13)8-6-2/h6,9-10,17H,2-3,5,7-8,11H2,1,4H3
InChIKeyDXAKGRYKIOPEBB-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.19
Rot. Bonds6

About 6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol

6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol (PubChem CID 19877287) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol.

Molecular Properties

Compound Name6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol
PubChem CID19877287
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol
SMILESC=CCc1c(CCC)ccc(CC(=C)C)c1O
InChIInChI=1S/C16H22O/c1-5-7-13-9-10-14(11-12(3)4)16(17)15(13)8-6-2/h6,9-10,17H,2-3,5,7-8,11H2,1,4H3
InChIKeyDXAKGRYKIOPEBB-UHFFFAOYSA-N
XLogP4.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.19
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-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol?
The IUPAC name of 6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol (CID 19877287) is 6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol.
What is the SMILES notation for 6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol?
The canonical SMILES for 6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol is C=CCc1c(CCC)ccc(CC(=C)C)c1O.
What is the InChIKey of 6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol?
The InChIKey is DXAKGRYKIOPEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-5-7-13-9-10-14(11-12(3)4)16(17)15(13)8-6-2/h6,9-10,17H,2-3,5,7-8,11H2,1,4H3.
What are the key properties of 6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol?
6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol has a molecular weight of 230.35 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylprop-2-enyl)-2-prop-2-enyl-3-propylphenol is sourced from PubChem (CID 19877287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).