4-(2-methylnon-2-en-4-yl)phenol

C16H24O — CID 134964205

IUPAC4-(2-methylnon-2-en-4-yl)phenol
SMILESCCCCCC(C=C(C)C)c1ccc(O)cc1
InChIInChI=1S/C16H24O/c1-4-5-6-7-15(12-13(2)3)14-8-10-16(17)11-9-14/h8-12,15,17H,4-7H2,1-3H3
InChIKeyVIKQDCYCHDJJPK-UHFFFAOYSA-N
MW232.37 g/mol
LogP5.02
Rot. Bonds6

About 4-(2-methylnon-2-en-4-yl)phenol

4-(2-methylnon-2-en-4-yl)phenol (PubChem CID 134964205) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(2-methylnon-2-en-4-yl)phenol.

Molecular Properties

Compound Name4-(2-methylnon-2-en-4-yl)phenol
PubChem CID134964205
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name4-(2-methylnon-2-en-4-yl)phenol
SMILESCCCCCC(C=C(C)C)c1ccc(O)cc1
InChIInChI=1S/C16H24O/c1-4-5-6-7-15(12-13(2)3)14-8-10-16(17)11-9-14/h8-12,15,17H,4-7H2,1-3H3
InChIKeyVIKQDCYCHDJJPK-UHFFFAOYSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylnon-2-en-4-yl)phenol?
The IUPAC name of 4-(2-methylnon-2-en-4-yl)phenol (CID 134964205) is 4-(2-methylnon-2-en-4-yl)phenol.
What is the SMILES notation for 4-(2-methylnon-2-en-4-yl)phenol?
The canonical SMILES for 4-(2-methylnon-2-en-4-yl)phenol is CCCCCC(C=C(C)C)c1ccc(O)cc1.
What is the InChIKey of 4-(2-methylnon-2-en-4-yl)phenol?
The InChIKey is VIKQDCYCHDJJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-4-5-6-7-15(12-13(2)3)14-8-10-16(17)11-9-14/h8-12,15,17H,4-7H2,1-3H3.
What are the key properties of 4-(2-methylnon-2-en-4-yl)phenol?
4-(2-methylnon-2-en-4-yl)phenol has a molecular weight of 232.37 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylnon-2-en-4-yl)phenol is sourced from PubChem (CID 134964205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).