2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol

C15H22O — CID 102455260

IUPAC2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol
SMILESC/C=C(\C)CCc1cc(C(C)C)ccc1O
InChIInChI=1S/C15H22O/c1-5-12(4)6-7-14-10-13(11(2)3)8-9-15(14)16/h5,8-11,16H,6-7H2,1-4H3/b12-5+
InChIKeyYSJIFUAFWXZEQS-LFYBBSHMSA-N
MW218.34 g/mol
LogP4.41
Rot. Bonds4

About 2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol

2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol (PubChem CID 102455260) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol
PubChem CID102455260
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol
SMILESC/C=C(\C)CCc1cc(C(C)C)ccc1O
InChIInChI=1S/C15H22O/c1-5-12(4)6-7-14-10-13(11(2)3)8-9-15(14)16/h5,8-11,16H,6-7H2,1-4H3/b12-5+
InChIKeyYSJIFUAFWXZEQS-LFYBBSHMSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.41
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 2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol?
The IUPAC name of 2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol (CID 102455260) is 2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol.
What is the SMILES notation for 2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol?
The canonical SMILES for 2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol is C/C=C(\C)CCc1cc(C(C)C)ccc1O.
What is the InChIKey of 2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol?
The InChIKey is YSJIFUAFWXZEQS-LFYBBSHMSA-N. The full InChI is InChI=1S/C15H22O/c1-5-12(4)6-7-14-10-13(11(2)3)8-9-15(14)16/h5,8-11,16H,6-7H2,1-4H3/b12-5+.
What are the key properties of 2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol?
2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol has a molecular weight of 218.34 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-methylpent-3-enyl]-4-propan-2-ylphenol is sourced from PubChem (CID 102455260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).